0 B10R1.10 CC1=CC(CCC1)OCF 34a_100011218613_100015361967 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.10 CCCN1CCCC(C1)F 2230a_100000697950_100000210303 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.10 CCCN1CCCC(C1)F 269982a_100000697950_100000210303 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.10 CCCN1CCCC(C1)F 34a_100000697950_100000210303 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_100000752043_200025704644 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_200025704644_100000752043 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.10 CNCC1CCCN(C1)C 34a_100102657272_100015183302 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.10 CNCC1CCCN(C1)C 7a_106832991635_100000752043 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.10 COCC1CCCN(C1)C 2230a_100000755410_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.10 COCC1CCCN(C1)C 269982a_100000755410_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.10 COCC1CCCN(C1)C 34a_100000755410_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.10 COCC1CCCN(C1)C 34a_100138415774_100015183302 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.10 COCC1CCCN(C1)[13CH3] 2230a_100000755410_200025704644 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.10 COCC1CCCN(C1)[13CH3] 269982a_100000755410_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.10 COCC1CCCN(C1)[13CH3] 34a_100000755410_200025704644 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.10 CSCC1CCCN(C1)C 62a_100000752043_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.10 CSCC1CCCN(C1)C 62a_200000210301_100000752043 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.10 O=C1CN(CCN1)CCF 2230a_100000184651_100011217306 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,0,0,0|1,0,1]=3 101 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,0,0,0|1,0,1]=3 117 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,0,0,0|1,0,1]=3 118 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,0,0,0|1,0,1]=3 119 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,0,0,0|1,0,1]=3 120 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,0,0,0|1,0,1]=3 121 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [1,0,0,0,0,0|1,0,1]=3 130 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,0,0,0|1,0,1]=3 137 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,0,0,0|1,0,1]=3 145 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,0,0,0|1,0,1]=3 146 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.8 FCSC1C=CCCC1 62a_100000751183_100015361967 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.8 FCSC1C=CCCC1 62a_100015361967_100000751183 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,0,0,0|1,0,1]=3 155 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,0,0,0|1,0,1]=3 156 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [1,0,0,0,0,0|1,0,1]=3 162 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,0,0,0|1,0,1]=3 166 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,0,0,0|1,0,1]=3 167 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,0,0,0|1,0,1]=3 174 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,0,0,0|1,0,1]=3 175 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.23 CCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210202 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.23 CCC(C)N1CCNC(=O)C1 2230a_100000184651_100000758301 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.23 CCC(C)N1CCOC(=O)C1 2230a_100000131268_100000758301 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 240690a_100102657272_100000705292 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 527a_100102657272_100000705292 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.23 O=C1CCC[C@@H](N1)C(=O)CF 1458a_100000705292_100015361967 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.24 C#CCOC1CCCC(=O)C1 34a_100012613340_100000184674 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.24 C=CCOC1CCCC(=O)C1 34a_100012613340_100015514636 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.24 CC1=CC(CCC1)OCCF 34a_100011218613_100011217306 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.24 CC1=CC(CCC1)OCCO 34a_100011218613_100000211926 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.24 CCCNC1CCCC(C1)C 2230a_100011194320_100000210303 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.24 CCCNC1CCCC(C1)C 270004a_100020643023_100000183594 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.24 CCCNC1CCCC(C1)C 34a_100011194320_100000210303 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,1,0,0,0,0|1,0,2]=4 202 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,1,0,0,0,0|1,0,2]=4 203 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.24 CCCOC1CCCN(C1)C 2230a_100000743837_200000210301 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.24 CCCOC1CCCN(C1)C 269982a_100000743837_200000210301 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.24 CCCOC1CCCN(C1)C 34a_100000743837_200000210301 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.24 CCCOC1CCCN(C1)[13CH3] 2230a_100000743837_200025704644 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.24 CCCOC1CCCN(C1)[13CH3] 269982a_100000743837_200025704644 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.24 CCCOC1CCCN(C1)[13CH3] 34a_100000743837_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.24 CCOCC1CCCN(C1)C 34a_100121572206_100015183302 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.24 CCSCC1CCCN(C1)C 62a_100000210202_100000752043 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.24 CCSCC1CCCN(C1)C 62a_100000752043_100000210202 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.24 CN1CCCC(C1)CCCO 2230a_100150707839_200000210301 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.24 CN1CCCC(C1)CCCO 269982a_100150707839_200000210301 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.24 CN1CCCC(C1)CCCO 34a_100150707839_200000210301 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.24 COCCC1CCCN(C1)C 2230a_100011653411_200000210301 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.24 COCCC1CCCN(C1)C 269982a_100011653411_200000210301 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.24 COCCC1CCCN(C1)C 34a_100011653411_200000210301 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.24 COCCC1CCCN(C1)[13CH3] 2230a_100011653411_200025704644 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.24 COCCC1CCCN(C1)[13CH3] 269982a_100011653411_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.24 COCCC1CCCN(C1)[13CH3] 34a_100011653411_200025704644 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.24 COCCN1CCNC(=O)C1 2230a_100000184651_100011201679 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.24 COCNC1CCNC(=O)C1 2230a_100016994916_100000766300 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.24 CSCCN1CCNC(=O)C1 2230a_100000184651_100000751147 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.24 CSCNC1CCNC(=O)C1 2230a_100016994916_100011218213 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.24 CSCNC1CCNC(=O)C1 34a_100016994916_100011218213 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.24 CSCOC1C=C(CCC1)C 34a_100011218613_100011218213 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.24 CSCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218213 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.24 O=C1CC(CCN1)COCF 34a_100009886756_100015361967 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.24 O=C1CC(CCN1)NCCF 2230a_100016994916_100011217306 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.24 O=C1CC(CCN1)NCCF 34a_100016994916_100011217306 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.24 O=C1CCCC(N1)COCF 34a_200000102386_100015361967 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.24 O=C1CN(CCN1)CCCF 2230a_100000184651_100011934791 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.24 O=C1COCC(N1)COCF 34a_200000101122_100015361967 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.24 O=C1C[C@@H](CCN1)OCCF 34a_100015189427_100011217306 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.24 [13CH3]N1CCCC(C1)CCCO 2230a_100150707839_200025704644 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.24 [13CH3]N1CCCC(C1)CCCO 269982a_100150707839_200025704644 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.24 [13CH3]N1CCCC(C1)CCCO 34a_100150707839_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.157 CC(C)CN1CCNC(=O)C1 2230a_100000184651_100000210760 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.157 CC(C)CN1CCNC(=O)C1 270004a_100000184651_100000210432 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.157 CC(C)NC1CCNC(=O)C1 2230a_100016994916_100000210206 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.157 CC(C)NC1CCNC(=O)C1 34a_100016994916_100000210206 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.157 CC(C)OC1CCCC(=O)C1 34a_100012613340_100000210206 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.157 CC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000210206 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.157 CC(O)CN1CCNC(=O)C1 2230a_100000184651_100011218427 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.157 CC1=CC(CCC1)OC(C)C 34a_100011218613_100000210206 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.157 C[C@@H](O)CN1CCNC(=O)C1 2230a_100000184651_100009817552 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.192 CCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210303 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.192 CCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210303 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.192 CCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210202 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.192 CCNC1CCN(C(=O)C1)C 34a_100000126938_100000210202 [0,1,0,0,0,0|3,0,0]=4 277 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,0,1,0,0,0|1,0,2]=4 278 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,0,1,0,0,0|1,0,2]=4 279 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,0,1,0,0,0|1,0,2]=4 280 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,0,1,0,0,0|1,0,2]=4 281 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,0,1,0,0,0|3,0,0]=4 282 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,0,1,0,0,0|3,0,0]=4 283 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,0,1,0,0,0|3,0,0]=4 284 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,0,1,0,0,0|3,0,0]=4 285 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,0,1,0,0,0|3,0,0]=4 286 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,0,1,0,0,0|3,0,0]=4 287 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,0,1,0,0,0|3,0,0]=4 288 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,0,1,0,0,0|3,0,0]=4 289 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,0,1,0,0,0|3,0,0]=4 290 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,0,1,0,0,0|3,0,0]=4 291 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,0,1,0,0,0|3,0,0]=4 292 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,0,1,0,0,0|3,0,0]=4 293 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,0,1,0,0,0|3,0,0]=4 294 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,0,1,0,0,0|3,0,0]=4 295 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,0,1,0,0,0|3,0,0]=4 296 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,0,1,0,0,0|3,0,0]=4 297 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,0,1,0,0,0|3,0,0]=4 298 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,0,1,0,0,0|3,0,0]=4 299 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,0,1,0,0,0|3,0,0]=4 300 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,0,1,0,0,0|3,0,0]=4 301 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,1,0,0,0|1,0,2]=4 302 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,1,0,0,0|1,0,2]=4 303 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,1,0,0,0|1,0,2]=4 304 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,0,1,0,0,0|1,0,2]=4 305 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,0,1,0,0,0|2,0,1]=4 306 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,1,0,0,0|2,0,0]=3 307 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,1,0,0,0|2,0,0]=3 308 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,1,0,0,0|2,0,0]=3 309 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,1,0,0,0|3,0,0]=4 310 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,1,0,0,0|3,0,0]=4 311 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,0,1,0,0,0|3,0,0]=4 312 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,0,1,0,0,0|3,0,0]=4 313 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,0,1,0,0,0|3,0,0]=4 314 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,0,1,0,0,0|3,0,0]=4 315 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,0,1,0,0,0|3,0,0]=4 316 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,0,1,0,0,0|3,0,0]=4 317 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,0,1,0,0,0|3,0,0]=4 318 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,0,1,0,0,0|3,0,0]=4 319 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,0,1,0,0,0|3,0,0]=4 320 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,0,1,0,0,0|3,0,0]=4 321 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,0,1,0,0,0|3,0,0]=4 322 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,0,1,0,0,0|3,0,0]=4 323 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,0,1,0,0,0|3,0,0]=4 324 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,0,1,0,0,0|3,0,0]=4 325 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,0,1,0,0,0|3,0,0]=4 326 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,0,1,0,0,0|3,0,0]=4 327 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,0,1,0,0,0|3,0,0]=4 328 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,0,1,0,0,0|3,0,0]=4 329 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,0,1,0,0,0|3,0,0]=4 330 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,0,1,0,0,0|3,0,0]=4 331 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,0,1,0,0,0|3,0,0]=4 332 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,0,1,0,0,0|3,0,0]=4 333 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,1,0,0,0|3,0,0]=4 334 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,1,0,0,0|3,0,0]=4 335 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,1,0,0,0|3,0,0]=4 336 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,1,0,0,0|3,0,0]=4 337 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,1,0,0,0|3,0,0]=4 338 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,1,0,0,0|3,0,0]=4 339 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,1,0,0,0|3,0,0]=4 340 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,1,0,0,0|3,0,0]=4 341 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,1,0,0,0|3,0,0]=4 342 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,0,1,0,0,0|1,0,2]=4 343 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,0,1,0,0,0|1,0,2]=4 344 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,0,1,0,0,0|1,0,2]=4 345 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,0,1,0,0,0|1,0,2]=4 346 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,1,0,0,0|1,0,2]=4 347 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,1,0,0,0|1,0,2]=4 348 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,1,0,0,0|1,0,2]=4 349 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,1,0,0,0|1,0,2]=4 350 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,1,0,0,0|1,0,0]=2 351 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,1,0,0,0|1,0,0]=2 352 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,1,0,0,0|1,0,0]=2 353 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,0,1,0,0,0|3,0,0]=4 354 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,0,1,0,0,0|3,0,0]=4 355 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,0,1,0,0,0|3,0,0]=4 356 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,0,1,0,0,0|3,0,0]=4 357 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,0,1,0,0,0|3,0,0]=4 358 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,0,1,0,0,0|3,0,0]=4 359 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 360 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 361 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 362 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,1,0,0,0|2,0,0]=3 363 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,0,1,0,0,0|2,0,0]=3 364 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,0,1,0,0,0|2,0,0]=3 365 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,0,1,0,0,0|1,0,0]=2 366 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,0,1,0,0,0|2,0,1]=4 367 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,0,1,0,0,0|2,0,1]=4 368 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,0,1,0,0,0|2,0,1]=4 369 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,0,1,0,0,0|2,0,1]=4 370 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,1,0,0,0|3,0,0]=4 371 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,1,0,0,0|2,0,0]=3 372 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,0,1,0,0,0|2,0,0]=3 373 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,0,1,0,0,0|2,0,0]=3 374 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,0,1,0,0,0|1,0,1]=3 375 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,0,1,0,0,0|2,0,1]=4 376 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,0,1,0,0,0|2,0,1]=4 377 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,0,1,0,0,0|2,0,1]=4 378 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,0,1,0,0,0|2,0,1]=4 379 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,0,1,0,0,0|2,0,1]=4 380 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,0,1,0,0,0|2,0,0]=3 381 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,0,1,0,0,0|2,0,0]=3 382 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,0,1,0,0,0|1,0,1]=3 383 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,0,1,0,0,0|1,0,1]=3 384 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,0,1,0,0,0|2,0,1]=4 385 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,0,1,0,0,0|2,0,1]=4 386 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,0,1,0,0,0|2,0,1]=4 387 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,0,1,0,0,0|2,0,1]=4 388 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,0,1,0,0,0|2,0,1]=4 389 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,1,0,0,0|2,0,0]=3 390 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,0,1,0,0,0|2,0,0]=3 391 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,0,1,0,0,0|2,0,0]=3 392 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,0,1,0,0,0|2,0,1]=4 393 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,0,1,0,0,0|2,0,1]=4 394 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,0,1,0,0,0|2,0,1]=4 395 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,0,1,0,0,0|2,0,0]=3 396 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,1,0,0,0|2,0,0]=3 397 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,1,0,0,0|2,0,0]=3 398 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,1,0,0,0|2,0,0]=3 399 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,1,0,0,0|2,0,0]=3 400 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,0,1,0,0,0|2,0,0]=3 401 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,0,1,0,0,0|2,0,0]=3 402 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,0,1,0,0,0|2,0,0]=3 403 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,0,1,0,0,0|2,0,0]=3 404 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,0,1,0,0,0|2,0,1]=4 405 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,0,1,0,0,0|2,0,1]=4 406 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,1,0,0,0|3,0,0]=4 407 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,1,0,0,0|2,0,0]=3 408 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,1,0,0,0|2,0,0]=3 409 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,0,1,0,0,0|2,0,0]=3 410 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,0,1,0,0,0|2,0,0]=3 411 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,0,1,0,0,0|2,0,1]=4 412 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,0,1,0,0,0|2,0,1]=4 413 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,1,0,0,0|3,0,0]=4 414 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,1,0,0,0|3,0,0]=4 415 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,1,0,0,0|2,0,0]=3 416 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,1,0,0,0|3,0,0]=4 417 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,1,0,0,0|3,0,0]=4 418 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,0,1,0,0,0|3,0,0]=4 419 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,1,0,0,0|2,0,0]=3 420 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,1,0,0,0|2,0,0]=3 421 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,1,0,0,0|2,0,0]=3 422 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,1,0,0,0|2,0,0]=3 423 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,0,1,0,0,0|2,0,1]=4 424 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,0,1,0,0,0|2,0,1]=4 425 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,1,0,0,0|3,0,0]=4 426 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,1,0,0,0|3,0,0]=4 427 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,1,0,0,0|3,0,0]=4 428 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,1,0,0,0|3,0,0]=4 429 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,0,1,0,0,0|3,0,0]=4 430 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,1,0,0,0|3,0,0]=4 431 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,0,1,0,0,0|3,0,0]=4 432 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,0,1,0,0,0|3,0,0]=4 433 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,1,0,0,0|2,0,0]=3 434 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,1,0,0,0|2,0,0]=3 435 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,1,0,0,0|2,0,0]=3 436 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,1,0,0,0|2,0,0]=3 437 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,0,1,0,0,0|2,0,1]=4 438 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,0,1,0,0,0|2,0,1]=4 439 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,1,0,0,0|3,0,0]=4 440 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,1,0,0,0|3,0,0]=4 441 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,1,0,0,0|3,0,0]=4 442 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,1,0,0,0|3,0,0]=4 443 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,1,0,0,0|3,0,0]=4 444 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,0,1,0,0,0|3,0,0]=4 445 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,0,1,0,0,0|3,0,0]=4 446 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,1,0,0,0|3,0,0]=4 447 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,1,0,0,0|3,0,0]=4 448 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,0,1,0,0,0|3,0,0]=4 449 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,0,1,0,0,0|3,0,0]=4 450 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,0,1,0,0,0|2,0,1]=4 451 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,0,1,0,0,0|2,0,0]=3 452 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,1,0,0,0|3,0,0]=4 453 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,1,0,0,0|3,0,0]=4 454 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,0,1,0,0,0|3,0,0]=4 455 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,0,1,0,0,0|2,0,0]=3 456 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,0,1,0,0,0|2,0,1]=4 457 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,1,0,0,0|2,0,0]=3 458 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,0,1,0,0,0|2,0,0]=3 459 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,0,1,0,0,0|2,0,0]=3 460 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,0,1,0,0,0|2,0,1]=4 461 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,0,1,0,0,0|2,0,1]=4 462 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 463 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 464 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 465 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,1,0,0,0|3,0,0]=4 466 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,1,0,0,0|3,0,0]=4 467 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,1,0,0,0|3,0,0]=4 468 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,1,0,0,0|3,0,0]=4 469 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,0,1,0,0,0|3,0,0]=4 470 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,0,1,0,0,0|3,0,0]=4 471 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,0,1,0,0,0|3,0,0]=4 472 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,0,1,0,0,0|2,0,0]=3 473 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,0,1,0,0,0|2,0,1]=4 474 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,0,1,0,0,0|3,0,0]=4 475 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,0,1,0,0,0|3,0,0]=4 476 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,0,1,0,0,0|3,0,0]=4 477 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,0,1,0,0,0|3,0,0]=4 478 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,0,1,0,0,0|2,0,1]=4 479 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,0,1,0,0,0|3,0,0]=4 480 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,0,1,0,0,0|3,0,0]=4 481 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,0,1,0,0,0|2,0,1]=4 482 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,0,1,0,0,0|2,0,1]=4 483 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,0,1,0,0,0|3,0,0]=4 484 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,0,1,0,0,0|3,0,0]=4 485 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,0,1,0,0,0|3,0,0]=4 486 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,0,1,0,0,0|3,0,0]=4 487 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,0,1,0,0,0|3,0,0]=4 488 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,0,1,0,0,0|2,0,1]=4 489 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,0,1,0,0,0|2,0,1]=4 490 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,1,0,0,0|2,0,0]=3 491 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,1,0,0,0|2,0,0]=3 492 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,1,0,0,0|3,0,0]=4 493 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,1,0,0,0|3,0,0]=4 494 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,1,0,0,0|3,0,0]=4 495 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,1,0,0,0|3,0,0]=4 496 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,0,1,0,0,0|3,0,0]=4 497 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,0,1,0,0,0|3,0,0]=4 498 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,0,1,0,0,0|2,0,0]=3 499 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,0,1,0,0,0|3,0,0]=4 500 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,0,1,0,0,0|3,0,0]=4 501 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,0,1,0,0,0|3,0,0]=4 502 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,0,1,0,0,0|3,0,0]=4 503 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,0,1,0,0,0|3,0,0]=4 504 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,0,1,0,0,0|2,0,1]=4 505 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,0,1,0,0,0|3,0,0]=4 506 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,0,1,0,0,0|3,0,0]=4 507 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,0,1,0,0,0|2,0,1]=4 508 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,0,1,0,0,0|2,0,1]=4 509 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,0,1,0,0,0|2,0,1]=4 510 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,0,1,0,0,0|2,0,1]=4 511 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,0,1,0,0,0|2,0,1]=4 512 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,0,1,0,0,0|2,0,0]=3 513 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,0,1,0,0,0|2,0,0]=3 514 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,0,1,0,0,0|2,0,0]=3 515 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,1,0,0,0|3,0,0]=4 516 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,1,0,0,0|3,0,0]=4 517 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,1,0,0,0|3,0,0]=4 518 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,1,0,0,0|3,0,0]=4 519 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,1,0,0,0|3,0,0]=4 520 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,1,0,0,0|3,0,0]=4 521 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,1,0,0,0|3,0,0]=4 522 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,0,1,0,0,0|3,0,0]=4 523 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,0,1,0,0,0|2,0,1]=4 524 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,0,1,0,0,0|2,0,1]=4 525 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,1,0,0,0|2,0,0]=3 526 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,0,1,0,0,0|2,0,0]=3 527 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,0,1,0,0,0|2,0,0]=3 528 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,0,1,0,0,0|2,0,0]=3 529 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,1,0,0,0|2,0,0]=3 530 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,0,1,0,0,0|1,0,1]=3 531 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,1,0,0,0|3,0,0]=4 532 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,1,0,0,0|3,0,0]=4 533 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,1,0,0,0|3,0,0]=4 534 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,1,0,0,0|3,0,0]=4 535 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,0,1,0,0,0|3,0,0]=4 536 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,0,1,0,0,0|3,0,0]=4 537 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,0,1,0,0,0|2,0,0]=3 538 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,0,1,0,0,0|2,0,1]=4 539 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,0,1,0,0,0|3,0,0]=4 540 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,0,1,0,0,0|3,0,0]=4 541 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,0,1,0,0,0|2,0,1]=4 542 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,0,1,0,0,0|3,0,0]=4 543 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,0,1,0,0,0|3,0,0]=4 544 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,0,1,0,0,0|2,0,1]=4 545 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,0,1,0,0,0|2,0,1]=4 546 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,0,1,0,0,0|3,0,0]=4 547 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,0,1,0,0,0|3,0,0]=4 548 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,0,1,0,0,0|3,0,0]=4 549 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,0,1,0,0,0|3,0,0]=4 550 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,0,1,0,0,0|3,0,0]=4 551 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,0,1,0,0,0|3,0,0]=4 552 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,0,1,0,0,0|3,0,0]=4 553 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,0,1,0,0,0|3,0,0]=4 554 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,0,1,0,0,0|3,0,0]=4 555 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,0,1,0,0,0|3,0,0]=4 556 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,0,1,0,0,0|3,0,0]=4 557 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,0,1,0,0,0|3,0,0]=4 558 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,0,1,0,0,0|3,0,0]=4 559 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,0,1,0,0,0|3,0,0]=4 560 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,0,1,0,0,0|3,0,0]=4 561 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,0,1,0,0,0|3,0,0]=4 562 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,0,1,0,0,0|3,0,0]=4 563 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,0,1,0,0,0|3,0,0]=4 564 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,0,1,0,0,0|2,0,1]=4 565 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,0,1,0,0,0|2,0,1]=4 566 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,0,1,0,0,0|2,0,0]=3 567 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,0,1,0,0,0|2,0,0]=3 568 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,1,0,0,0|3,0,0]=4 569 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,1,0,0,0|3,0,0]=4 570 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,1,0,0,0|3,0,0]=4 571 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,1,0,0,0|3,0,0]=4 572 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,0,1,0,0,0|3,0,0]=4 573 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,0,1,0,0,0|3,0,0]=4 574 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,0,1,0,0,0|3,0,0]=4 575 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,0,1,0,0,0|2,0,1]=4 576 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,0,1,0,0,0|3,0,0]=4 577 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,0,1,0,0,0|3,0,0]=4 578 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,0,1,0,0,0|3,0,0]=4 579 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,0,1,0,0,0|3,0,0]=4 580 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,0,1,0,0,0|3,0,0]=4 581 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,0,1,0,0,0|3,0,0]=4 582 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,0,1,0,0,0|3,0,0]=4 583 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,0,1,0,0,0|3,0,0]=4 584 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,0,1,0,0,0|3,0,0]=4 585 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,0,1,0,0,0|3,0,0]=4 586 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,0,1,0,0,0|3,0,0]=4 587 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,0,1,0,0,0|3,0,0]=4 588 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,0,1,0,0,0|3,0,0]=4 589 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,0,1,0,0,0|3,0,0]=4 590 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,0,1,0,0,0|3,0,0]=4 591 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,0,1,0,0,0|3,0,0]=4 592 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,0,1,0,0,0|3,0,0]=4 593 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,0,1,0,0,0|3,0,0]=4 594 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,0,1,0,0,0|3,0,0]=4 595 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,0,1,0,0,0|2,0,1]=4 596 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,0,1,0,0,0|3,0,0]=4 597 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,0,1,0,0,0|3,0,0]=4 598 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,0,1,0,0,0|3,0,0]=4 599 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,0,1,0,0,0|3,0,0]=4 600 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,0,1,0,0,0|3,0,0]=4 601 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,0,1,0,0,0|3,0,0]=4 602 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,0,1,0,0,0|3,0,0]=4 603 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,0,1,0,0,0|3,0,0]=4 604 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,0,1,0,0,0|3,0,0]=4 605 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,0,1,0,0,0|3,0,0]=4 606 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,0,1,0,0,0|3,0,0]=4 607 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,0,1,0,0,0|3,0,0]=4 608 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,0,1,0,0,0|3,0,0]=4 609 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,0,1,0,0,0|3,0,0]=4 610 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,0,1,0,0,0|3,0,0]=4 611 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,0,1,0,0,0|3,0,0]=4 612 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,0,1,0,0,0|3,0,0]=4 613 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,0,1,0,0,0|3,0,0]=4 614 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,0,1,0,0,0|3,0,0]=4 615 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,0,1,0,0,0|3,0,0]=4 616 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,0,1,0,0,0|3,0,0]=4 617 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,0,1,0,0,0|3,0,0]=4 618 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,0,1,0,0,0|3,0,0]=4 619 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,0,1,0,0,0|3,0,0]=4 620 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,0,1,0,0,0|3,0,0]=4 621 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,0,1,0,0,0|3,0,0]=4 622 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,0,1,0,0,0|3,0,0]=4 623 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,0,1,0,0,0|3,0,0]=4 624 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,0,1,0,0,0|3,0,0]=4 625 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,0,1,0,0,0|3,0,0]=4 626 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,0,1,0,0,0|3,0,0]=4 627 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,0,1,0,0,0|3,0,0]=4 628 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,0,1,0,0,0|3,0,0]=4 629 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,0,1,0,0,0|3,0,0]=4 630 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,0,1,0,0,0|3,0,0]=4 631 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,0,1,0,0,0|3,0,0]=4 632 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,0,1,0,0,0|3,0,0]=4 633 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,0,1,0,0,0|3,0,0]=4 634 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,0,1,0,0,0|3,0,0]=4 635 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,0,1,0,0,0|3,0,0]=4 636 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,0,1,0,0,0|2,0,1]=4 637 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,0,1,0,0,0|3,0,0]=4 638 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,0,1,0,0,0|3,0,0]=4 639 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,0,1,0,0,0|2,0,0]=3 640 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,0,1,0,0,0|2,0,0]=3 641 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,0,1,0,0,0|3,0,0]=4 642 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,0,1,0,0,0|3,0,0]=4 643 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,0,1,0,0,0|3,0,0]=4 644 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,0,1,0,0,0|2,0,1]=4 645 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,0,1,0,0,0|2,0,1]=4 646 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,0,1,0,0,0|2,0,1]=4 647 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,0,1,0,0,0|2,0,1]=4 648 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,0,1,0,0,0|2,0,1]=4 649 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,0,1,0,0,0|2,0,1]=4 650 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,0,1,0,0,0|2,0,1]=4 651 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,0,1,0,0,0|2,0,1]=4 652 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,0,1,0,0,0|2,0,1]=4 653 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,0,1,0,0,0|2,0,1]=4 654 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,1,0,0,0|2,0,0]=3 655 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,0,1,0,0,0|2,0,0]=3 656 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,0,1,0,0,0|2,0,0]=3 657 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,0,1,0,0,0|1,0,1]=3 658 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,0,1,0,0,0|2,0,1]=4 659 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,0,1,0,0,0|2,0,1]=4 660 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,0,1,0,0,0|2,0,0]=3 661 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,0,1,0,0,0|2,0,0]=3 662 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,0,1,0,0,0|1,0,2]=4 663 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,0,1,0,0,0|1,0,2]=4 664 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,0,1,0,0,0|1,0,2]=4 665 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,0,1,0,0,0|1,0,2]=4 666 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,0,1,0,0,0|1,0,2]=4 667 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,0,1,0,0,0|1,0,2]=4 668 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,0,1,0,0,0|1,0,2]=4 669 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,0,1,0,0,0|1,0,2]=4 670 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,0,1,0,0,0|1,0,2]=4 671 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,0,1,0,0,0|1,0,2]=4 672 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,0,1,0,0,0|1,0,2]=4 673 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,0,1,0,0,0|1,0,2]=4 674 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,0,1,0,0,0|1,0,2]=4 675 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,0,1,0,0,0|1,0,2]=4 676 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,0,1,0,0,0|1,0,2]=4 677 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,0,1,0,0,0|1,0,2]=4 678 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,0,1,0,0,0|1,0,2]=4 679 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,0,1,0,0,0|1,0,2]=4 680 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [0,0,1,0,0,0|3,0,0]=4 681 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [0,0,1,0,0,0|3,0,0]=4 682 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,0,1,0,0,0|1,0,2]=4 683 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,0,1,0,0,0|1,0,2]=4 684 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,0,1,0,0,0|1,0,2]=4 685 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,0,1,0,0,0|1,0,2]=4 686 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,0,1,0,0,0|3,0,0]=4 687 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,0,1,0,0,0|3,0,0]=4 688 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,0,1,0,0,0|3,0,0]=4 689 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,0,1,0,0,0|3,0,0]=4 690 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,0,1,0,0,0|3,0,0]=4 691 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,0,1,0,0,0|3,0,0]=4 692 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,0,1,0,0,0|3,0,0]=4 693 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,0,1,0,0,0|3,0,0]=4 694 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [0,0,1,0,0,0|3,0,0]=4 695 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [0,0,1,0,0,0|3,0,0]=4 696 B9R0.5 C=CCNCC(O)COC 2230a_100000756049_100000210623 [0,0,1,0,0,0|3,0,0]=4 697 B9R0.5 C=CCNCC(O)COC 34a_100000756049_100015514636 [0,0,1,0,0,0|3,0,0]=4 698 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,0,1,0,0,0|3,0,0]=4 699 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,0,1,0,0,0|3,0,0]=4 700 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,0,1,0,0,0|3,0,0]=4 701 B9R0.5 C=CCOCC(O)COC 34a_200000210373_100011215053 [0,0,1,0,0,0|3,0,0]=4 702 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [0,0,1,0,0,0|3,0,0]=4 703 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,0,1,0,0,0|3,0,0]=4 704 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,0,1,0,0,0|3,0,0]=4 705 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [0,0,1,0,0,0|3,0,0]=4 706 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [0,0,1,0,0,0|3,0,0]=4 707 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,0,1,0,0,0|1,0,2]=4 708 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,0,1,0,0,0|1,0,2]=4 709 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,0,1,0,0,0|1,0,2]=4 710 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,0,1,0,0,0|1,0,2]=4 711 B9R0.5 CC(CCN)COCC=O 34a_106354213184_200009817547 [0,0,1,0,0,0|3,0,0]=4 712 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,0,1,0,0,0|1,0,2]=4 713 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,0,1,0,0,0|1,0,2]=4 714 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,0,1,0,0,0|1,0,2]=4 715 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,0,1,0,0,0|1,0,2]=4 716 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,0,1,0,0,0|1,0,2]=4 717 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,0,1,0,0,0|1,0,2]=4 718 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,0,1,0,0,0|1,0,2]=4 719 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,0,1,0,0,0|2,0,1]=4 720 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,0,1,0,0,0|1,0,1]=3 721 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,0,1,0,0,0|2,0,1]=4 722 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,0,1,0,0,0|2,0,1]=4 723 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,0,1,0,0,0|2,0,1]=4 724 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,0,1,0,0,0|2,0,1]=4 725 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,0,1,0,0,0|2,0,1]=4 726 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,0,1,0,0,0|2,0,1]=4 727 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,0,1,0,0,0|2,0,1]=4 728 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,0,1,0,0,0|2,0,0]=3 729 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,0,1,0,0,0|2,0,0]=3 730 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,0,1,0,0,0|2,0,0]=3 731 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,0,1,0,0,0|2,0,0]=3 732 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,0,1,0,0,0|2,0,0]=3 733 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,0,1,0,0,0|2,0,0]=3 734 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,0,1,0,0,0|2,0,0]=3 735 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,0,1,0,0,0|2,0,0]=3 736 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,0,1,0,0,0|2,0,0]=3 737 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,0,1,0,0,0|2,0,0]=3 738 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,0,1,0,0,0|3,0,0]=4 739 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,0,1,0,0,0|3,0,0]=4 740 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,0,1,0,0,0|1,0,2]=4 741 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,0,1,0,0,0|1,0,2]=4 742 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,0,1,0,0,0|3,0,0]=4 743 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,0,1,0,0,0|3,0,0]=4 744 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,0,1,0,0,0|3,0,0]=4 745 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,0,1,0,0,0|3,0,0]=4 746 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,0,1,0,0,0|3,0,0]=4 747 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,0,1,0,0,0|3,0,0]=4 748 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,0,1,0,0,0|3,0,0]=4 749 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,0,1,0,0,0|3,0,0]=4 750 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,0,1,0,0,0|2,0,1]=4 751 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,0,1,0,0,0|2,0,1]=4 752 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,0,1,0,0,0|2,0,1]=4 753 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,0,1,0,0,0|2,0,1]=4 754 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,0,1,0,0,0|2,0,0]=3 755 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,0,1,0,0,0|2,0,0]=3 756 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,0,1,0,0,0|2,0,0]=3 757 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,0,1,0,0,0|2,0,0]=3 758 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,0,1,0,0,0|2,0,0]=3 759 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,0,1,0,0,0|2,0,0]=3 760 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,0,1,0,0,0|2,0,0]=3 761 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,0,1,0,0,0|2,0,0]=3 762 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,0,1,0,0,0|2,0,0]=3 763 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,0,1,0,0,0|2,0,0]=3 764 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,0,1,0,0,0|2,0,0]=3 765 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,0,1,0,0,0|2,0,0]=3 766 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,0,1,0,0,0|2,0,0]=3 767 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,0,1,0,0,0|3,0,0]=4 768 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,0,1,0,0,0|1,0,0]=2 769 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,0,1,0,0,0|1,0,0]=2 770 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,0,1,0,0,0|1,0,0]=2 771 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,0,1,0,0,0|2,0,0]=3 772 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,0,1,0,0,0|3,0,0]=4 773 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,0,1,0,0,0|3,0,0]=4 774 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,0,1,0,0,0|3,0,0]=4 775 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,0,1,0,0,0|3,0,0]=4 776 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [0,0,1,0,0,0|2,0,0]=3 777 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [0,0,1,0,0,0|2,0,0]=3 778 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [0,0,1,0,0,0|2,0,0]=3 779 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [0,0,1,0,0,0|2,0,0]=3 780 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,0,1,0,0,0|2,0,1]=4 781 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,0,1,0,0,0|2,0,1]=4 782 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,0,1,0,0,0|2,0,1]=4 783 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,0,1,0,0,0|2,0,1]=4 784 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,0,1,0,0,0|2,0,1]=4 785 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,0,1,0,0,0|2,0,1]=4 786 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,0,1,0,0,0|2,0,1]=4 787 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,0,1,0,0,0|2,0,1]=4 788 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,0,1,0,0,0|2,0,1]=4 789 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,0,1,0,0,0|2,0,1]=4 790 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,0,1,0,0,0|2,0,1]=4 791 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,0,1,0,0,0|2,0,1]=4 792 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,0,1,0,0,0|2,0,1]=4 793 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,0,1,0,0,0|2,0,1]=4 794 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,0,1,0,0,0|2,0,1]=4 795 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,0,1,0,0,0|1,0,1]=3 796 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,0,1,0,0,0|2,0,1]=4 797 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,0,1,0,0,0|2,0,1]=4 798 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,0,1,0,0,0|2,0,1]=4 799 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,0,1,0,0,0|2,0,1]=4 800 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,0,1,0,0,0|2,0,1]=4 801 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,0,1,0,0,0|2,0,1]=4 802 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,0,1,0,0,0|1,0,0]=2 803 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,0,1,0,0,0|1,0,0]=2 804 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,0,1,0,0,0|2,0,0]=3 805 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,0,1,0,0,0|2,0,0]=3 806 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,0,1,0,0,0|2,0,0]=3 807 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,0,1,0,0,0|2,0,0]=3 808 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,0,1,0,0,0|2,0,0]=3 809 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,0,1,0,0,0|2,0,0]=3 810 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,0,1,0,0,0|2,0,0]=3 811 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,0,1,0,0,0|2,0,0]=3 812 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,0,1,0,0,0|2,0,0]=3 813 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,0,1,0,0,0|2,0,0]=3 814 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,0,1,0,0,0|2,0,0]=3 815 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,0,1,0,0,0|2,0,0]=3 816 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,0,1,0,0,0|2,0,0]=3 817 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,0,1,0,0,0|2,0,0]=3 818 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,0,1,0,0,0|2,0,0]=3 819 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,0,1,0,0,0|2,0,0]=3 820 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,0,1,0,0,0|3,0,0]=4 821 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,0,1,0,0,0|3,0,0]=4 822 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,0,1,0,0,0|3,0,0]=4 823 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,0,1,0,0,0|3,0,0]=4 824 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,0,1,0,0,0|3,0,0]=4 825 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,0,1,0,0,0|3,0,0]=4 826 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,0,1,0,0,0|3,0,0]=4 827 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,0,1,0,0,0|3,0,0]=4 828 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,0,1,0,0,0|3,0,0]=4 829 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,0,1,0,0,0|2,0,1]=4 830 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,0,1,0,0,0|2,0,1]=4 831 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,0,1,0,0,0|1,0,0]=2 832 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,0,1,0,0,0|1,0,0]=2 833 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,0,1,0,0,0|1,0,0]=2 834 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,0,1,0,0,0|1,0,0]=2 835 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,0,1,0,0,0|2,0,0]=3 836 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,0,1,0,0,0|2,0,0]=3 837 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,0,1,0,0,0|2,0,0]=3 838 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,0,1,0,0,0|2,0,0]=3 839 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,0,1,0,0,0|2,0,0]=3 840 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,0,1,0,0,0|2,0,0]=3 841 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,0,1,0,0,0|2,0,0]=3 842 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,0,1,0,0,0|2,0,0]=3 843 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,0,1,0,0,0|2,0,0]=3 844 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,0,1,0,0,0|2,0,0]=3 845 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,0,1,0,0,0|2,0,0]=3 846 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,0,1,0,0,0|2,0,0]=3 847 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,0,1,0,0,0|2,0,0]=3 848 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,0,1,0,0,0|2,0,0]=3 849 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,0,1,0,0,0|2,0,0]=3 850 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,0,1,0,0,0|2,0,0]=3 851 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,0,1,0,0,0|2,0,0]=3 852 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,0,1,0,0,0|2,0,0]=3 853 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,0,1,0,0,0|2,0,0]=3 854 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,0,1,0,0,0|2,0,0]=3 855 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,0,1,0,0,0|2,0,0]=3 856 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,0,1,0,0,0|2,0,0]=3 857 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,0,1,0,0,0|2,0,0]=3 858 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,0,1,0,0,0|3,0,0]=4 859 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,0,1,0,0,0|3,0,0]=4 860 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,0,1,0,0,0|3,0,0]=4 861 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,0,1,0,0,0|2,0,1]=4 862 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,0,1,0,0,0|2,0,1]=4 863 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,0,1,0,0,0|2,0,1]=4 864 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,0,1,0,0,0|2,0,1]=4 865 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,0,1,0,0,0|1,0,0]=2 866 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,0,1,0,0,0|1,0,0]=2 867 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,0,1,0,0,0|1,0,0]=2 868 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,0,1,0,0,0|1,0,0]=2 869 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,0,1,0,0,0|1,0,0]=2 870 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,0,1,0,0,0|1,0,0]=2 871 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,0,1,0,0,0|1,0,0]=2 872 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,0,1,0,0,0|1,0,0]=2 873 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,0,1,0,0,0|2,0,1]=4 874 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,0,1,0,0,0|1,0,1]=3 875 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,0,1,0,0,0|1,0,1]=3 876 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,0,1,0,0,0|1,0,1]=3 877 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,0,1,0,0,0|1,0,1]=3 878 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,0,1,0,0,0|2,0,1]=4 879 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,0,1,0,0,0|2,0,1]=4 880 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,0,1,0,0,0|2,0,1]=4 881 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,0,1,0,0,0|2,0,1]=4 882 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,0,1,0,0,0|2,0,1]=4 883 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,0,1,0,0,0|1,1,1]=4 884 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,0,1,0,0,0|1,1,1]=4 885 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [0,0,1,0,0,0|2,0,0]=3 886 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [0,0,1,0,0,0|2,0,0]=3 887 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,0,1,0,0,0|3,0,0]=4 888 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [0,0,1,0,0,0|3,0,0]=4 889 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,0,1,0,0,0|2,0,0]=3 890 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,0,1,0,0,0|3,0,0]=4 891 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,0,1,0,0,0|3,0,0]=4 892 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,0,1,0,0,0|3,0,0]=4 893 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,0,1,0,0,0|3,0,0]=4 894 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,0,1,0,0,0|3,0,0]=4 895 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,0,1,0,0,0|3,0,0]=4 896 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,0,1,0,0,0|2,0,0]=3 897 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,0,1,0,0,0|3,0,0]=4 898 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,0,1,0,0,0|3,0,0]=4 899 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,0,1,0,0,0|3,0,0]=4 900 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,0,1,0,0,0|3,0,0]=4 901 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,0,1,0,0,0|3,0,0]=4 902 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,0,1,0,0,0|3,0,0]=4 903 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,0,1,0,0,0|3,0,0]=4 904 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,0,1,0,0,0|2,0,0]=3 905 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,0,1,0,0,0|2,0,0]=3 906 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,0,1,0,0,0|2,0,0]=3 907 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,0,1,0,0,0|3,0,0]=4 908 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,0,1,0,0,0|3,0,0]=4 909 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,0,1,0,0,0|3,0,0]=4 910 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,0,1,0,0,0|3,0,0]=4 911 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,0,1,0,0,0|3,0,0]=4 912 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,0,1,0,0,0|3,0,0]=4 913 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,0,1,0,0,0|3,0,0]=4 914 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,0,1,0,0,0|3,0,0]=4 915 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,0,1,0,0,0|3,0,0]=4 916 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [0,0,1,0,0,0|2,0,0]=3 917 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,0,1,0,0,0|3,0,0]=4 918 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,0,1,0,0,0|3,0,0]=4 919 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,0,1,0,0,0|3,0,0]=4 920 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,0,1,0,0,0|3,0,0]=4 921 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,0,1,0,0,0|3,0,0]=4 922 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,0,1,0,0,0|3,0,0]=4 923 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,0,1,0,0,0|3,0,0]=4 924 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,0,1,0,0,0|3,0,0]=4 925 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,0,1,0,0,0|3,0,0]=4 926 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,0,1,0,0,0|3,0,0]=4 927 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,0,1,0,0,0|3,0,0]=4 928 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,0,1,0,0,0|3,0,0]=4 929 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,0,1,0,0,0|3,0,0]=4 930 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,0,1,0,0,0|3,0,0]=4 931 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,0,1,0,0,0|3,0,0]=4 932 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,0,1,0,0,0|3,0,0]=4 933 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,0,1,0,0,0|3,0,0]=4 934 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,0,1,0,0,0|3,0,0]=4 935 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,0,1,0,0,0|3,0,0]=4 936 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,0,1,0,0,0|3,0,0]=4 937 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,0,1,0,0,0|3,0,0]=4 938 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,0,1,0,0,0|3,0,0]=4 939 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,0,1,0,0,0|3,0,0]=4 940 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,0,1,0,0,0|3,0,0]=4 941 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,0,1,0,0,0|3,0,0]=4 942 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,0,1,0,0,0|3,0,0]=4 943 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,0,1,0,0,0|3,0,0]=4 944 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,0,1,0,0,0|3,0,0]=4 945 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,0,1,0,0,0|3,0,0]=4 946 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,0,1,0,0,0|3,0,0]=4 947 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,0,1,0,0,0|3,0,0]=4 948 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,0,1,0,0,0|3,0,0]=4 949 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,0,1,0,0,0|3,0,0]=4 950 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,0,1,0,0,0|3,0,0]=4 951 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,0,1,0,0,0|3,0,0]=4 952 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,0,1,0,0,0|3,0,0]=4 953 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,0,1,0,0,0|3,0,0]=4 954 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,0,1,0,0,0|3,0,0]=4 955 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,0,1,0,0,0|3,0,0]=4 956 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,0,1,0,0,0|3,0,0]=4 957 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,0,1,0,0,0|3,0,0]=4 958 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,0,1,0,0,0|3,0,0]=4 959 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,0,1,0,0,0|3,0,0]=4 960 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,0,1,0,0,0|3,0,0]=4 961 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,0,1,0,0,0|3,0,0]=4 962 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,0,1,0,0,0|3,0,0]=4 963 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,0,1,0,0,0|3,0,0]=4 964 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,0,1,0,0,0|3,0,0]=4 965 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,0,1,0,0,0|3,0,0]=4 966 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,0,1,0,0,0|3,0,0]=4 967 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,0,1,0,0,0|3,0,0]=4 968 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,0,1,0,0,0|3,0,0]=4 969 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,0,1,0,0,0|3,0,0]=4 970 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,0,1,0,0,0|2,0,0]=3 971 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,0,1,0,0,0|3,0,0]=4 972 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,0,1,0,0,0|3,0,0]=4 973 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,0,1,0,0,0|3,0,0]=4 974 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,0,1,0,0,0|3,0,0]=4 975 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,0,1,0,0,0|3,0,0]=4 976 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,0,1,0,0,0|3,0,0]=4 977 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,0,1,0,0,0|3,0,0]=4 978 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,0,1,0,0,0|3,0,0]=4 979 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,0,1,0,0,0|3,0,0]=4 980 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,0,1,0,0,0|3,0,0]=4 981 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,0,1,0,0,0|3,0,0]=4 982 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,0,1,0,0,0|3,0,0]=4 983 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [0,0,1,0,0,0|3,0,0]=4 984 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [0,0,1,0,0,0|3,0,0]=4 985 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,0,1,0,0,0|3,0,0]=4 986 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,0,1,0,0,0|3,0,0]=4 987 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,0,1,0,0,0|3,0,0]=4 988 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,0,1,0,0,0|3,0,0]=4 989 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,0,1,0,0,0|2,0,0]=3 990 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,0,1,0,0,0|2,0,0]=3 991 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,0,1,0,0,0|2,0,0]=3 992 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,0,1,0,0,0|3,0,0]=4 993 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,0,1,0,0,0|3,0,0]=4 994 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,0,1,0,0,0|3,0,0]=4 995 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,0,1,0,0,0|3,0,0]=4 996 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,0,1,0,0,0|3,0,0]=4 997 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,0,1,0,0,0|3,0,0]=4 998 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,0,1,0,0,0|3,0,0]=4 999 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,0,1,0,0,0|3,0,0]=4 1000 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,0,1,0,0,0|3,0,0]=4 1001 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,0,1,0,0,0|3,0,0]=4 1002 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,0,1,0,0,0|3,0,0]=4 1003 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,0,1,0,0,0|3,0,0]=4 1004 B9R0.5 COCC(N)COCC=O 34a_100000724102_200009817547 [0,0,1,0,0,0|3,0,0]=4 1005 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [0,0,1,0,0,0|2,0,0]=3 1006 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [0,0,1,0,0,0|2,0,0]=3 1007 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [0,0,1,0,0,0|2,0,0]=3 1008 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [0,0,1,0,0,0|2,0,0]=3 1009 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,0,1,0,0,0|3,0,0]=4 1010 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,0,1,0,0,0|3,0,0]=4 1011 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,0,1,0,0,0|3,0,0]=4 1012 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,0,1,0,0,0|3,0,0]=4 1013 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,0,1,0,0,0|3,0,0]=4 1014 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,0,1,0,0,0|3,0,0]=4 1015 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,0,1,0,0,0|3,0,0]=4 1016 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,0,1,0,0,0|3,0,0]=4 1017 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,0,1,0,0,0|3,0,0]=4 1018 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,0,1,0,0,0|3,0,0]=4 1019 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,0,1,0,0,0|3,0,0]=4 1020 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,0,1,0,0,0|3,0,0]=4 1021 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,0,1,0,0,0|3,0,0]=4 1022 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,0,1,0,0,0|3,0,0]=4 1023 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,0,1,0,0,0|3,0,0]=4 1024 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,0,1,0,0,0|3,0,0]=4 1025 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,0,1,0,0,0|3,0,0]=4 1026 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,0,1,0,0,0|3,0,0]=4 1027 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,0,1,0,0,0|2,0,0]=3 1028 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,0,1,0,0,0|2,0,0]=3 1029 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,0,1,0,0,0|2,0,0]=3 1030 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,0,1,0,0,0|2,0,0]=3 1031 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,0,1,0,0,0|2,0,0]=3 1032 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,0,1,0,0,0|3,0,0]=4 1033 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,0,1,0,0,0|3,0,0]=4 1034 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,0,1,0,0,0|3,0,0]=4 1035 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,0,1,0,0,0|3,0,0]=4 1036 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,0,1,0,0,0|3,0,0]=4 1037 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,0,1,0,0,0|3,0,0]=4 1038 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,0,1,0,0,0|3,0,0]=4 1039 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,0,1,0,0,0|3,0,0]=4 1040 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,0,1,0,0,0|3,0,0]=4 1041 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,0,1,0,0,0|3,0,0]=4 1042 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,0,1,0,0,0|3,0,0]=4 1043 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,0,1,0,0,0|3,0,0]=4 1044 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,0,1,0,0,0|3,0,0]=4 1045 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,0,1,0,0,0|3,0,0]=4 1046 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,0,1,0,0,0|3,0,0]=4 1047 B9R0.5 N#CC[C@H](O)CSCC=O 62a_100000001066_200015260668 [0,0,1,0,0,0|2,0,1]=4 1048 B9R0.5 N#CC[C@H](O)CSCC=O 62a_200015260668_100000001066 [0,0,1,0,0,0|2,0,1]=4 1049 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,0,1,0,0,0|3,0,0]=4 1050 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,0,1,0,0,0|3,0,0]=4 1051 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,0,1,0,0,0|3,0,0]=4 1052 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,0,1,0,0,0|3,0,0]=4 1053 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,0,1,0,0,0|3,0,0]=4 1054 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,0,1,0,0,0|3,0,0]=4 1055 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000211296_100000210303 [0,0,1,0,0,0|3,0,0]=4 1056 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000226822_100000748629 [0,0,1,0,0,0|3,0,0]=4 1057 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000211296_100000210303 [0,0,1,0,0,0|3,0,0]=4 1058 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000226822_100000748629 [0,0,1,0,0,0|3,0,0]=4 1059 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,0,1,0,0,0|2,0,0]=3 1060 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,0,1,0,0,0|2,0,0]=3 1061 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,0,1,0,0,0|2,0,0]=3 1062 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,0,1,0,0,0|2,0,0]=3 1063 B9R0.14 CCC(COC)OC(C)C 7a_200011214946_100000210206 [0,0,1,0,0,0|2,0,1]=4 1064 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,0,1,0,0,0|1,0,0]=2 1065 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,0,1,0,0,0|1,0,0]=2 1066 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,0,1,0,0,0|1,0,0]=2 1067 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,0,1,0,0,0|1,0,0]=2 1068 B9R0.14 CCCC(CC)NC(C)C 2230a_100000747048_100000210206 [0,0,1,0,0,0|2,0,1]=4 1069 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [0,0,1,0,0,0|1,0,1]=3 1070 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [0,0,1,0,0,0|1,0,1]=3 1071 B9R0.14 CCCC(CC)SC(C)C 62a_100000210206_100011219200 [0,0,1,0,0,0|1,1,1]=4 1072 B9R0.14 CCCC(CC)SC(C)C 62a_100011219200_100000210206 [0,0,1,0,0,0|1,1,1]=4 1073 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,0,1,0,0,0|3,0,0]=4 1074 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,0,1,0,0,0|3,0,0]=4 1075 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,0,1,0,0,0|3,0,0]=4 1076 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,0,1,0,0,0|3,0,0]=4 1077 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,0,1,0,0,0|2,0,0]=3 1078 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,0,1,0,0,0|2,0,0]=3 1079 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,0,1,0,0,0|3,0,0]=4 1080 B9R0.14 CC[C@H](CC#N)NC(=O)C 11a_200009818565_100015343762 [0,0,1,0,0,0|2,0,1]=4 1081 B9R0.14 CC[C@H](CC#N)NC(=O)C 1626a_200009818565_100015343762 [0,0,1,0,0,0|2,0,1]=4 1082 B9R0.14 CC[C@H](CC#N)NC(=O)C 240690a_200009818565_100015343762 [0,0,1,0,0,0|2,0,1]=4 1083 B9R0.14 CC[C@H](CC#N)NC(=O)C 527a_200009818565_100103153847 [0,0,1,0,0,0|2,0,1]=4 1084 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [0,0,1,0,0,0|3,0,0]=4 1085 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [0,0,1,0,0,0|3,0,0]=4 1086 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [0,0,1,0,0,0|3,0,0]=4 1087 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [0,0,1,0,0,0|3,0,0]=4 1088 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [0,0,1,0,0,0|3,0,0]=4 1089 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [0,0,1,0,0,0|3,0,0]=4 1090 B9R0.17 C=CCN(CCC)CCC 2230a_100000210455_100000210623 [0,0,1,0,0,0|3,0,0]=4 1091 B9R0.17 C=CCN(CCC)CCC 269982a_100000210455_100000210623 [0,0,1,0,0,0|3,0,0]=4 1092 B9R0.17 CCCC(CCC)COC 34a_200011215456_200000210301 [0,0,1,0,0,0|3,0,0]=4 1093 B9R0.17 CCCC(CCC)COC 7a_200011215456_200000210301 [0,0,1,0,0,0|3,0,0]=4 1094 B9R0.17 CCCC(CCC)CO[13CH3] 34a_200011215456_200025704644 [0,0,1,0,0,0|3,0,0]=4 1095 B9R0.17 CCCC(CCC)CO[13CH3] 7a_200011215456_200025704644 [0,0,1,0,0,0|3,0,0]=4 1096 B9R0.17 CCCC(CCC)NCC 2230a_100011207992_100000210202 [0,0,1,0,0,0|2,0,1]=4 1097 B9R0.17 CCCC(CCC)NCC 270004a_100015525214_100000210088 [0,0,1,0,0,0|2,0,1]=4 1098 B9R0.17 CCCC(CCC)NCC 34a_100011207992_100000210202 [0,0,1,0,0,0|2,0,1]=4 1099 B9R0.17 CCCC(CCC)NCF 34a_100011207992_100015361967 [0,0,1,0,0,0|2,0,1]=4 1100 B9R0.17 CCCC(CCC)OCC 34a_100121572206_200011218217 [0,0,1,0,0,0|1,0,1]=3 1101 B9R0.17 CCCC(CCC)OCC 34a_200011218534_100000210202 [0,0,1,0,0,0|1,0,1]=3 1102 B9R0.17 CCCC(CCC)OCC 7a_200011218534_100000210202 [0,0,1,0,0,0|1,0,1]=3 1103 B9R0.17 CCCC(CCC)OCF 34a_200011218534_100015361967 [0,0,1,0,0,0|1,0,1]=3 1104 B9R0.17 CCCC(CCC)OCF 7a_200011218534_100015361967 [0,0,1,0,0,0|1,0,1]=3 1105 B9R0.17 CCCC(CCC)SCC 62a_100000210202_200011218217 [0,0,1,0,0,0|1,1,1]=4 1106 B9R0.17 CCCC(CCC)SCC 62a_200011218217_100000210202 [0,0,1,0,0,0|1,1,1]=4 1107 B9R0.17 CCCC(CCC)SCF 62a_100015361967_200011218217 [0,0,1,0,0,0|1,1,1]=4 1108 B9R0.17 CCCC(CCC)SCF 62a_200011218217_100015361967 [0,0,1,0,0,0|1,1,1]=4 1109 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [0,0,1,0,0,0|2,0,0]=3 1110 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [0,0,1,0,0,0|2,0,0]=3 1111 B9R0.17 CCCN(CC=O)CCO 2230a_100000211420_200015260668 [0,0,1,0,0,0|3,0,0]=4 1112 B9R0.17 CCCN(CC=O)CCO 269982a_100000211420_200015260668 [0,0,1,0,0,0|3,0,0]=4 1113 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,0,1,0,0,0|1,0,2]=4 1114 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,0,1,0,0,0|1,0,2]=4 1115 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,0,1,0,0,0|1,0,2]=4 1116 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,0,1,0,0,0|1,0,2]=4 1117 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,0,1,0,0,0|1,0,2]=4 1118 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,0,1,0,0,0|3,0,0]=4 1119 B9R0.34 CCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210414 [0,0,1,0,0,0|2,0,1]=4 1120 B9R0.34 CCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210414 [0,0,1,0,0,0|2,0,1]=4 1121 B9R0.34 CCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210414 [0,0,1,0,0,0|2,0,1]=4 1122 B9R0.34 CCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000210414 [0,0,1,0,0,0|2,0,1]=4 1123 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,0,1,0,0,0|2,0,0]=3 1124 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,0,1,0,0,0|2,0,0]=3 1125 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,0,1,0,0,0|2,0,0]=3 1126 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,0,1,0,0,0|2,0,0]=3 1127 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,0,1,0,0,0|2,0,0]=3 1128 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,0,1,0,0,0|2,0,0]=3 1129 B9R0.34 CCC(C)OC(C)CCBr 34a_100012276601_100011215416 [0,0,1,0,0,0|2,0,1]=4 1130 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [0,0,1,0,0,0|2,0,1]=4 1131 B9R0.34 CCC(C)OC(C)COC 7a_100000210228_100000765312 [0,0,1,0,0,0|2,0,1]=4 1132 B9R0.34 CCC(C)O[C@H](C)COC 34a_100011934205_100011215416 [0,0,1,0,0,0|2,0,1]=4 1133 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,0,1,0,0,0|1,0,1]=3 1134 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,0,1,0,0,0|2,0,1]=4 1135 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,0,1,0,0,0|2,0,1]=4 1136 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,0,1,0,0,0|2,0,1]=4 1137 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,0,1,0,0,0|2,0,1]=4 1138 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,0,1,0,0,0|2,0,1]=4 1139 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,0,1,0,0,0|2,0,1]=4 1140 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,0,1,0,0,0|1,0,0]=2 1141 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,0,1,0,0,0|1,0,0]=2 1142 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,0,1,0,0,0|2,0,0]=3 1143 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,0,1,0,0,0|2,0,0]=3 1144 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,0,1,0,0,0|2,0,0]=3 1145 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,0,1,0,0,0|2,0,0]=3 1146 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,0,1,0,0,0|2,0,0]=3 1147 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,0,1,0,0,0|2,0,0]=3 1148 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,0,1,0,0,0|3,0,0]=4 1149 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,0,1,0,0,0|3,0,0]=4 1150 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,0,1,0,0,0|1,0,0]=2 1151 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,0,1,0,0,0|1,0,0]=2 1152 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,0,1,0,0,0|1,0,0]=2 1153 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,0,1,0,0,0|1,0,0]=2 1154 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,0,1,0,0,0|2,0,0]=3 1155 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,0,1,0,0,0|2,0,0]=3 1156 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,0,1,0,0,0|2,0,0]=3 1157 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,0,1,0,0,0|2,0,0]=3 1158 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,0,1,0,0,0|2,0,0]=3 1159 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,0,1,0,0,0|2,0,0]=3 1160 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,0,1,0,0,0|2,0,0]=3 1161 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,0,1,0,0,0|2,0,1]=4 1162 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,0,1,0,0,0|2,0,1]=4 1163 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,0,1,0,0,0|2,0,1]=4 1164 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,0,1,0,0,0|1,0,1]=3 1165 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,0,1,0,0,0|1,0,1]=3 1166 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,0,1,0,0,0|1,0,1]=3 1167 B9R0.34 CCCC(C)OC(C)CF 34a_100016041109_100000766640 [0,0,1,0,0,0|2,0,1]=4 1168 B9R0.34 CCCC(C)OC(C)CF 7a_100016041109_100000766640 [0,0,1,0,0,0|2,0,1]=4 1169 B9R0.34 CCCC(C)OC(C)CN 34a_100000210904_100000766640 [0,0,1,0,0,0|2,0,1]=4 1170 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [0,0,1,0,0,0|2,0,1]=4 1171 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [0,0,1,0,0,0|2,0,1]=4 1172 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,0,1,0,0,0|1,1,1]=4 1173 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,0,1,0,0,0|1,1,1]=4 1174 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,0,1,0,0,0|2,0,0]=3 1175 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,0,1,0,0,0|3,0,0]=4 1176 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,0,1,0,0,0|3,0,0]=4 1177 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,0,1,0,0,0|3,0,0]=4 1178 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,0,1,0,0,0|3,0,0]=4 1179 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,0,1,0,0,0|3,0,0]=4 1180 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,0,1,0,0,0|3,0,0]=4 1181 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,0,1,0,0,0|3,0,0]=4 1182 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,0,1,0,0,0|3,0,0]=4 1183 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,0,1,0,0,0|3,0,0]=4 1184 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,0,1,0,0,0|2,0,0]=3 1185 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,0,1,0,0,0|3,0,0]=4 1186 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,0,1,0,0,0|3,0,0]=4 1187 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,0,1,0,0,0|3,0,0]=4 1188 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,0,1,0,0,0|3,0,0]=4 1189 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,0,1,0,0,0|3,0,0]=4 1190 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,0,1,0,0,0|3,0,0]=4 1191 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,0,1,0,0,0|3,0,0]=4 1192 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,0,1,0,0,0|3,0,0]=4 1193 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,0,1,0,0,0|3,0,0]=4 1194 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,0,1,0,0,0|3,0,0]=4 1195 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,0,1,0,0,0|3,0,0]=4 1196 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,0,1,0,0,0|3,0,0]=4 1197 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,0,1,0,0,0|3,0,0]=4 1198 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,0,1,0,0,0|3,0,0]=4 1199 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,0,1,0,0,0|3,0,0]=4 1200 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,0,1,0,0,0|3,0,0]=4 1201 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,0,1,0,0,0|3,0,0]=4 1202 B9R0.34 COC[C@@H](C)NC(=O)CO 240690a_100000764878_100000210174 [0,0,1,0,0,0|3,0,0]=4 1203 B9R0.34 COC[C@@H](C)NC(=O)CO 527a_100000764878_100000210174 [0,0,1,0,0,0|3,0,0]=4 1204 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,0,1,0,0,0|3,0,0]=4 1205 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,0,1,0,0,0|3,0,0]=4 1206 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,0,1,0|3,0,0]=4 1207 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,0,1,0|3,0,0]=4 1208 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,0,1,0|2,0,0]=3 1209 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,0,1,0|3,0,0]=4 1210 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,0,1,0|2,0,0]=3 1211 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,0,1,0|2,0,0]=3 1212 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,0,1,0|3,0,0]=4 1213 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,0,1,0|3,0,0]=4 1214 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,0,1,0|2,0,0]=3 1215 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,0,1,0|2,0,0]=3 1216 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,0,1,0|2,0,0]=3 1217 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,0,1,0|2,0,0]=3 1218 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,0,1,0|2,0,0]=3 1219 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,0,1,0|2,0,0]=3 1220 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,0,1,0|2,0,0]=3 1221 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,0,1,0|2,0,0]=3 1222 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,0,1,0|3,0,0]=4 1223 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,0,1,0|3,0,0]=4 1224 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,0,1,0|3,0,0]=4 1225 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,0,1,0|2,0,0]=3 1226 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,0,1,0|3,0,0]=4 1227 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,0,1,0|2,0,0]=3 1228 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,0,1,0|2,0,0]=3 1229 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,0,1,0|2,0,0]=3 1230 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,0,1,0|3,0,0]=4 1231 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,0,1,0|2,0,0]=3 1232 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,0,1,0|2,0,0]=3 1233 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,0,1,0|2,0,0]=3 1234 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,0,1,0|2,0,0]=3 1235 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,0,1,0|2,0,0]=3 1236 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,0,1,0|2,0,0]=3 1237 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,0,1,0|3,0,0]=4 1238 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,0,1,0|3,0,0]=4 1239 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,0,0,0,1,0|3,0,0]=4 1240 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,0,0,0,1,0|3,0,0]=4 1241 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,0,1,0|3,0,0]=4 1242 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,0,1,0|3,0,0]=4 1243 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,0,1,0|2,0,0]=3 1244 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,0,1,0|2,0,0]=3 1245 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,0,1,0|2,0,0]=3 1246 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,0,1,0|3,0,0]=4 1247 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,0,1,0|2,0,0]=3 1248 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,0,1,0|2,0,0]=3 1249 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,0,1,0|2,0,0]=3 1250 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,0,1,0|2,0,0]=3 1251 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,0,1,0|2,0,0]=3 1252 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,0,1,0|2,0,0]=3 1253 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,0,1,0|2,0,0]=3 1254 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,0,1,0|3,0,0]=4 1255 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,0,1,0|3,0,0]=4 1256 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,0,0,0,1,0|2,0,1]=4 1257 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,0,0,0,1,0|2,0,1]=4 1258 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,0,0,0,1,0|2,0,1]=4 1259 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,0,0,0,1,0|2,0,1]=4 1260 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,0,0,0,1,0|2,0,1]=4 1261 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,0,0,0,1,0|1,0,0]=2 1262 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,0,0,0,1,0|2,0,1]=4 1263 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,0,0,0,1,0|2,0,0]=3 1264 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,0,0,0,1,0|2,0,0]=3 1265 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,0,0,1,0|2,0,0]=3 1266 B9R1.33 CCN[C@@H]1CONC1=O 2230a_100000765999_100000210202 [0,0,0,0,1,0|3,0,0]=4 1267 B9R1.33 CCN[C@@H]1CONC1=O 34a_100000765999_100000210202 [0,0,0,0,1,0|3,0,0]=4 1268 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,0,0,0,1,0|1,0,0]=2 1269 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,0,0,0,1,0|1,0,0]=2 1270 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,0,0,0,1,0|2,0,1]=4 1271 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,0,0,0,1,0|2,0,1]=4 1272 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,0,0,1,0|2,0,0]=3 1273 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,0,0,0,1,0|2,0,1]=4 1274 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,0,0,0,1,0|2,0,1]=4 1275 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,0,0,0,1,0|2,0,0]=3 1276 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,0,0,0,1,0|1,0,0]=2 1277 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,0,0,0,1,0|1,0,0]=2 1278 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,0,0,1,0|2,0,0]=3 1279 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,0,0,1,0|2,0,0]=3 1280 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,0,0,0,1,0|1,0,2]=4 1281 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,0,0,0,1,0|1,0,2]=4 1282 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [0,0,0,0,1,0|3,0,0]=4 1283 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,0,0,0,1,0|1,0,2]=4 1284 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [0,0,0,0,1,0|3,0,0]=4 1285 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,0,0,1,0|2,0,0]=3 1286 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [0,0,0,0,1,0|3,0,0]=4 1287 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [0,0,0,0,1,0|3,0,0]=4 1288 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [0,0,0,0,1,0|3,0,0]=4 1289 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [0,0,0,0,1,0|3,0,0]=4 1290 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [0,0,0,0,1,0|3,0,0]=4 1291 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [0,0,0,0,1,0|3,0,0]=4 1292 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,0,0,0,1,0|2,0,0]=3 1293 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,0,0,0,1,0|2,0,0]=3 1294 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,0,0,0,1,0|2,0,0]=3 1295 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,0,0,0,1,0|2,0,0]=3 1296 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,0,0,0,1,0|2,0,0]=3 1297 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,0,0,0,1,0|3,0,0]=4 1298 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,0,0,0,1,0|3,0,0]=4 1299 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,0,0,0,1,0|3,0,0]=4 1300 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,0,0,0,1,0|3,0,0]=4 1301 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,0,0,0,1,0|1,0,2]=4 1302 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,0,0,1,0|2,0,0]=3 1303 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,0,0,0,1,0|2,0,0]=3 1304 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,0,0,0,1,0|2,0,0]=3 1305 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,0,0,1|2,0,0]=3 1306 B11R1.110 COCN1CCCNC(=O)C1 2230a_100015190381_100000766300 [0,0,0,0,0,1|3,0,0]=4 1307 B11R1.110 CSCN1CCCNC(=O)C1 2230a_100015190381_100011218213 [0,0,0,0,0,1|3,0,0]=4 1308 B11R1.110 O=C1CN(CCCN1)CCF 2230a_100015190381_100011217306 [0,0,0,0,0,1|3,0,0]=4 1309 B11R1.110 O=C1CN(CCCN1)CCO 2230a_100015190381_100000211926 [0,0,0,0,0,1|3,0,0]=4 1310 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,0,0,0,1|3,0,0]=4 1311 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,0,0,0,1|3,0,0]=4 1312 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,1,0,0,0|2,0,0]=4 1313 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,1,0,0,0|2,0,0]=4 1314 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,1,0,0,0|2,0,0]=4 1315 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,1,0,0,0|2,0,0]=4 1316 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,1,0,0,0|2,0,0]=4 1317 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,1,0,0,0|2,0,0]=4 1318 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,1,0,0,0|2,0,0]=4 1319 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,1,0,0,0|2,0,0]=4 1320 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,1,0,0,0|2,0,0]=4 1321 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,1,0,0,0|2,0,0]=4 1322 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,1,0,0,0|2,0,0]=4 1323 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,1,0,0,0|2,0,0]=4 1324 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,1,0,0,0|2,0,0]=4 1325 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,1,0,0,0|2,0,0]=4 1326 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,1,0,0,0|2,0,0]=4 1327 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,1,0,0,0|2,0,0]=4 1328 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,1,0,0,0|2,0,0]=4 1329 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,1,0,0,0|2,0,0]=4 1330 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,1,0,0,0|2,0,0]=4 1331 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,1,0,0,0|2,0,0]=4 1332 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,1,0,0,0|2,0,0]=4 1333 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,1,0,0,0|2,0,0]=4 1334 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,1,0,0,0|2,0,0]=4 1335 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,1,0,0,0|2,0,0]=4 1336 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,1,0,0,0|2,0,0]=4 1337 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,1,0,0,0|2,0,0]=4 1338 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,1,0,0,0|2,0,0]=4 1339 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,1,0,0,0|2,0,0]=4 1340 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,1,0,0,0|2,0,0]=4 1341 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,1,0,0,0|2,0,0]=4 1342 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,1,0,0,0|2,0,0]=4 1343 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,1,0,0,0|2,0,0]=4 1344 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,1,0,0,0|2,0,0]=4 1345 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,1,0,0,0|2,0,0]=4 1346 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,1,0,0,0|2,0,0]=4 1347 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,1,0,0,0|2,0,0]=4 1348 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,1,0,0,0|2,0,0]=4 1349 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,1,0,0,0|2,0,0]=4 1350 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,1,0,0,0|2,0,0]=4 1351 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,1,0,0,0|2,0,0]=4 1352 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,1,0,0,0|2,0,0]=4 1353 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,1,0,0,0|2,0,0]=4 1354 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,1,0,0,0|2,0,0]=4 1355 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,1,0,0,0|2,0,0]=4 1356 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,0,1,0,0,0|2,0,0]=4 1357 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,0,1,0,0,0|2,0,0]=4 1358 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,0,1,0,0,0|2,0,0]=4 1359 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,0,1,0,0,0|2,0,0]=4 1360 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,0,1,0,0,0|2,0,0]=4 1361 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,1,0,0,0|2,0,0]=4 1362 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,1,0,0,0|2,0,0]=4 1363 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,1,0,0,0|2,0,0]=4 1364 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,1,0,0,0|2,0,0]=4 1365 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,1,0,0,0|2,0,0]=4 1366 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,1,0,0,0|2,0,0]=4 1367 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,1,0,0,0|2,0,0]=4 1368 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,1,0,0,0|2,0,0]=4 1369 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,1,0,0,0|2,0,0]=4 1370 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,1,0,0,0|2,0,0]=4 1371 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,1,0,0,0|2,0,0]=4 1372 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,1,0,0,0|2,0,0]=4 1373 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,1,0,0,0|2,0,0]=4 1374 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,1,0,0,0|2,0,0]=4 1375 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,1,0,0,0|1,0,0]=3 1376 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,1,0,0,0|2,0,0]=4 1377 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,1,0,0,0|1,0,1]=4 1378 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,1,0,0,0|1,0,1]=4 1379 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,1,0,0,0|1,0,1]=4 1380 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,1,0,0,0|1,0,0]=3 1381 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,1,0,0,0|1,0,0]=3 1382 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,1,0,0,0|2,0,0]=4 1383 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,1,0,0,0|2,0,0]=4 1384 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,1,0,0,0|2,0,0]=4 1385 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,1,0,0,0|1,0,1]=4 1386 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,1,0,0,0|1,0,1]=4 1387 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,1,0,0,0|1,0,0]=3 1388 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,1,0,0,0|1,0,0]=3 1389 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,1,0,0,0|2,0,0]=4 1390 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,1,0,0,0|2,0,0]=4 1391 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,1,0,0,0|1,0,1]=4 1392 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,1,0,0,0|1,0,1]=4 1393 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,1,0,0,0|1,0,1]=4 1394 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,1,0,0,0|1,0,1]=4 1395 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,1,0,0,0|1,0,1]=4 1396 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,1,0,0,0|1,0,1]=4 1397 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,1,0,0,0|1,0,1]=4 1398 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,1,0,0,0|0,0,1]=3 1399 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,1,0,0,0|0,0,1]=3 1400 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,1,0,0,0|1,0,1]=4 1401 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,1,0,0,0|1,0,1]=4 1402 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,1,0,0,0|1,0,1]=4 1403 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,1,0,0,0|1,0,1]=4 1404 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,1,0,0,0|1,0,1]=4 1405 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,1,0,0,0|1,0,1]=4 1406 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,1,0,0,0|1,0,1]=4 1407 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,1,0,0,0|1,0,1]=4 1408 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,1,0,0,0|1,0,1]=4 1409 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,1,0,0,0|1,0,1]=4 1410 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,1,0,0,0|1,0,1]=4 1411 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,1,0,0,0|1,0,1]=4 1412 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,1,0,0,0|1,0,1]=4 1413 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,1,0,0,0|1,0,1]=4 1414 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,1,0,0,0|1,0,1]=4 1415 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,1,0,0,0|1,0,1]=4 1416 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,1,0,0,0|1,0,1]=4 1417 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,1,0,0,0|1,0,1]=4 1418 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,1,0,0,0|1,0,1]=4 1419 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,1,0,0,0|1,0,1]=4 1420 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,1,0,0,0|1,0,1]=4 1421 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,1,0,0,0|1,0,1]=4 1422 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,1,0,0,0|1,0,1]=4 1423 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,1,0,0,0|1,0,1]=4 1424 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,1,0,0,0|1,0,1]=4 1425 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,1,0,0,0|1,0,1]=4 1426 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,1,0,0,0|1,0,1]=4 1427 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,1,0,0,0|1,0,1]=4 1428 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,1,0,0,0|1,0,1]=4 1429 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,1,0,0,0|1,0,1]=4 1430 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,1,0,0,0|0,1,1]=4 1431 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,1,0,0,0|1,0,1]=4 1432 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,1,0,0,0|1,0,1]=4 1433 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,1,0,0,0|1,0,1]=4 1434 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,1,0,0,0|1,0,1]=4 1435 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,1,0,0,0|1,0,1]=4 1436 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,1,0,0,0|1,0,0]=3 1437 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,1,0,0,0|1,0,0]=3 1438 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,1,0,0,0|1,0,1]=4 1439 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,1,0,0,0|1,0,1]=4 1440 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,1,0,0,0|1,0,0]=3 1441 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,1,0,0,0|1,0,1]=4 1442 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,1,0,0,0|1,0,1]=4 1443 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,1,0,0,0|1,0,1]=4 1444 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,1,0,0,0|1,0,1]=4 1445 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,1,0,0,0|2,0,0]=4 1446 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,1,0,0,0|2,0,0]=4 1447 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,1,0,0,0|2,0,0]=4 1448 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,1,0,0,0|2,0,0]=4 1449 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,1,0,0,0|2,0,0]=4 1450 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,1,0,0,0|2,0,0]=4 1451 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,1,0,0,0|1,0,0]=3 1452 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,1,0,0,0|1,0,0]=3 1453 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,1,0,0,0|1,0,1]=4 1454 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,1,0,0,0|1,0,1]=4 1455 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,0,1,0,0,0|2,0,0]=4 1456 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,1,0,0,0|2,0,0]=4 1457 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,1,0,0,0|2,0,0]=4 1458 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,0,1,0,0,0|2,0,0]=4 1459 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,0,1,0,0,0|2,0,0]=4 1460 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,1,0,0,0|1,0,0]=3 1461 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,1,0,0,0|1,0,0]=3 1462 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,1,0,0,0|1,0,1]=4 1463 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,1,0,0,0|1,0,1]=4 1464 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,1,0,0,0|1,0,1]=4 1465 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,1,0,0,0|1,0,1]=4 1466 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,1,0,0,0|1,0,1]=4 1467 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,1,0,0,0|2,0,0]=4 1468 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,1,0,0,0|1,0,1]=4 1469 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,0,1,0,0,0|2,0,0]=4 1470 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,1,0,0,0|2,0,0]=4 1471 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,0,1,0,0,0|2,0,0]=4 1472 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,0,1,0,0,0|2,0,0]=4 1473 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,0,1,0,0,0|2,0,0]=4 1474 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,0,1,0,0,0|2,0,0]=4 1475 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,1,0,0,0|1,0,0]=3 1476 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,1,0,0,0|1,0,0]=3 1477 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,1,0,0,0|1,0,1]=4 1478 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,1,0,0,0|1,0,1]=4 1479 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,0,1,0,0,0|2,0,0]=4 1480 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,1,0,0,0|2,0,0]=4 1481 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,1,0,0,0|2,0,0]=4 1482 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,0,1,0,0,0|2,0,0]=4 1483 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,0,1,0,0,0|2,0,0]=4 1484 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,1,0,0,0|2,0,0]=4 1485 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,0,1,0,0,0|2,0,0]=4 1486 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,0,1,0,0,0|2,0,0]=4 1487 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,1,0,0,0|2,0,0]=4 1488 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,0,1,0,0,0|2,0,0]=4 1489 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,0,1,0,0,0|2,0,0]=4 1490 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,1,0,0,0|2,0,0]=4 1491 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,1,0,0,0|2,0,0]=4 1492 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,1,0,0,0|2,0,0]=4 1493 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,1,0,0,0|2,0,0]=4 1494 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,1,0,0,0|2,0,0]=4 1495 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,1,0,0,0|2,0,0]=4 1496 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,1,0,0,0|2,0,0]=4 1497 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,1,0,0,0|2,0,0]=4 1498 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,1,0,0,0|2,0,0]=4 1499 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,1,0,0,0|2,0,0]=4 1500 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,0,1,0,0,0|2,0,0]=4 1501 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,0,1,0,0,0|2,0,0]=4 1502 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,1,0,0,0|2,0,0]=4 1503 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,1,0,0,0|2,0,0]=4 1504 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,1,0,0,0|1,0,1]=4 1505 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,1,0,0,0|1,0,1]=4 1506 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,1,0,0,0|1,0,0]=3 1507 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,1,0,0,0|1,0,0]=3 1508 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,1,0,0,0|1,0,1]=4 1509 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,1,0,0,0|1,0,1]=4 1510 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,1,0,0,0|2,0,0]=4 1511 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,1,0,0,0|2,0,0]=4 1512 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,1,0,0,0|2,0,0]=4 1513 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,1,0,0,0|2,0,0]=4 1514 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,1,0,0,0|2,0,0]=4 1515 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,1,0,0,0|1,0,0]=3 1516 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,1,0,0,0|1,0,0]=3 1517 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,1,0,0,0|1,0,0]=3 1518 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,1,0,0,0|2,0,0]=4 1519 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,1,0,0,0|2,0,0]=4 1520 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,1,0,0,0|2,0,0]=4 1521 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,1,0,0,0|2,0,0]=4 1522 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,1,0,0,0|2,0,0]=4 1523 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,1,0,0,0|2,0,0]=4 1524 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,1,0,0,0|2,0,0]=4 1525 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,1,0,0,0|1,0,0]=3 1526 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,1,0,0,0|2,0,0]=4 1527 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,1,0,0,0|2,0,0]=4 1528 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,1,0,0,0|2,0,0]=4 1529 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,1,0,0,0|2,0,0]=4 1530 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,1,0,0,0|2,0,0]=4 1531 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,1,0,0,0|2,0,0]=4 1532 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,1,0,0,0|1,0,1]=4 1533 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,1,0,0,0|2,0,0]=4 1534 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,1,0,0,0|2,0,0]=4 1535 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,1,0,0,0|2,0,0]=4 1536 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,1,0,0,0|2,0,0]=4 1537 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,1,0,0,0|1,0,1]=4 1538 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,1,0,0,0|1,0,1]=4 1539 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,1,0,0,0|2,0,0]=4 1540 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,1,0,0,0|2,0,0]=4 1541 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,1,0,0,0|2,0,0]=4 1542 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,1,0,0,0|2,0,0]=4 1543 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,1,0,0,0|2,0,0]=4 1544 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,1,0,0,0|2,0,0]=4 1545 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,1,0,0,0|2,0,0]=4 1546 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,1,0,0,0|2,0,0]=4 1547 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,1,0,0,0|2,0,0]=4 1548 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,1,0,0,0|2,0,0]=4 1549 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,1,0,0,0|2,0,0]=4 1550 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,1,0,0,0|2,0,0]=4 1551 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,1,0,0,0|2,0,0]=4 1552 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,1,0,0,0|2,0,0]=4 1553 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,1,0,0,0|2,0,0]=4 1554 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,1,0,0,0|2,0,0]=4 1555 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,1,0,0,0|2,0,0]=4 1556 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,1,0,0,0|2,0,0]=4 1557 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,1,0,0,0|2,0,0]=4 1558 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,1,0,0,0|2,0,0]=4 1559 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,1,0,0,0|2,0,0]=4 1560 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,1,0,0,0|2,0,0]=4 1561 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,1,0,0,0|2,0,0]=4 1562 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,1,0,0,0|2,0,0]=4 1563 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,1,0,0,0|2,0,0]=4 1564 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,1,0,0,0|2,0,0]=4 1565 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,1,0,0,0|2,0,0]=4 1566 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,1,0,0,0|2,0,0]=4 1567 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,1,0,0,0|2,0,0]=4 1568 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,1,0,0,0|2,0,0]=4 1569 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,1,0,0,0|2,0,0]=4 1570 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,1,0,0,0|2,0,0]=4 1571 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,1,0,0,0|2,0,0]=4 1572 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,1,0,0,0|2,0,0]=4 1573 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,1,0,0,0|2,0,0]=4 1574 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,1,0,0,0|2,0,0]=4 1575 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,1,0,0,0|2,0,0]=4 1576 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,1,0,0,0|2,0,0]=4 1577 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,1,0,0,0|2,0,0]=4 1578 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,1,0,0,0|2,0,0]=4 1579 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,1,0,0,0|2,0,0]=4 1580 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,0,1,0,0,0|0,0,2]=4 1581 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,0,1,0,0,0|0,0,2]=4 1582 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,0,1,0,0,0|0,0,2]=4 1583 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,0,1,0,0,0|0,0,2]=4 1584 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,1,0,0,0|0,0,2]=4 1585 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,0,1,0,0,0|0,0,2]=4 1586 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,0,1,0,0,0|0,0,2]=4 1587 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,1,0,0,0|0,0,2]=4 1588 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,1,0,0,0|0,0,2]=4 1589 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,1,0,0,0|0,0,2]=4 1590 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,0,1,0,0,0|0,0,2]=4 1591 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,1,0,0,0|0,0,2]=4 1592 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,1,0,0,0|0,0,2]=4 1593 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,1,0,0,0|0,0,2]=4 1594 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,0,1,0,0,0|0,0,2]=4 1595 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,1,0,0,0|0,0,2]=4 1596 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,0,1,0,0,0|1,0,1]=4 1597 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,0,1,0,0,0|1,0,1]=4 1598 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,1,0,0,0|1,0,0]=3 1599 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,1,0,0,0|1,0,0]=3 1600 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,1,0,0,0|1,0,0]=3 1601 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,1,0,0,0|1,0,0]=3 1602 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,1,0,0,0|1,0,0]=3 1603 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,1,0,0,0|1,0,0]=3 1604 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,1,0,0,0|1,0,0]=3 1605 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,1,0,0,0|1,0,0]=3 1606 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,1,0,0,0|1,0,0]=3 1607 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,1,0,0,0|1,0,0]=3 1608 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,1,0,0,0|1,0,0]=3 1609 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,0,1,0,0,0|2,0,0]=4 1610 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,0,1,0,0,0|2,0,0]=4 1611 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,0,1,0,0,0|2,0,0]=4 1612 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,0,1,0,0,0|2,0,0]=4 1613 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,0,1,0,0,0|2,0,0]=4 1614 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,0,1,0,0,0|2,0,0]=4 1615 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,0,1,0,0,0|2,0,0]=4 1616 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,0,1,0,0,0|2,0,0]=4 1617 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,0,1,0,0,0|2,0,0]=4 1618 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,0,1,0,0,0|1,0,0]=3 1619 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,0,1,0,0,0|1,0,0]=3 1620 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,0,1,0,0,0|1,0,0]=3 1621 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,0,1,0,0,0|1,0,0]=3 1622 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,0,1,0,0,0|1,0,0]=3 1623 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,0,1,0,0,0|2,0,0]=4 1624 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,0,1,0,0,0|2,0,0]=4 1625 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,0,1,0,0,0|2,0,0]=4 1626 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,0,1,0,0,0|2,0,0]=4 1627 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,0,1,0,0,0|2,0,0]=4 1628 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,0,1,0,0,0|2,0,0]=4 1629 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,0,1,0,0,0|2,0,0]=4 1630 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,0,1,0,0,0|2,0,0]=4 1631 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,0,1,0,0,0|2,0,0]=4 1632 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,0,1,0,0,0|2,0,0]=4 1633 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,0,1,0,0,0|1,0,1]=4 1634 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,0,1,0,0,0|1,0,1]=4 1635 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,0,1,0,0,0|1,0,1]=4 1636 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,0,1,0,0,0|1,0,1]=4 1637 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,0,1,0,0,0|1,0,1]=4 1638 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,0,1,0,0,0|1,0,1]=4 1639 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,0,1,0,0,0|1,0,1]=4 1640 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,0,1,0,0,0|2,0,0]=4 1641 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,0,1,0,0,0|2,0,0]=4 1642 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,0,1,0,0,0|1,0,1]=4 1643 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,0,1,0,0,0|1,0,1]=4 1644 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,1,0,0,0|0,0,0]=2 1645 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,1,0,0,0|0,0,0]=2 1646 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,1,0,0,0|1,0,0]=3 1647 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,1,0,0,0|1,0,0]=3 1648 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,1,0,0,0|1,0,0]=3 1649 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,1,0,0,0|1,0,0]=3 1650 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,1,0,0,0|1,0,0]=3 1651 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,1,0,0,0|1,0,0]=3 1652 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,1,0,0,0|1,0,0]=3 1653 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,1,0,0,0|1,0,0]=3 1654 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,1,0,0,0|2,0,0]=4 1655 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,0,1,0,0,0|2,0,0]=4 1656 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,0,1,0,0,0|2,0,0]=4 1657 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,0,1,0,0,0|2,0,0]=4 1658 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,0,1,0,0,0|2,0,0]=4 1659 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,0,1,0,0,0|2,0,0]=4 1660 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,0,1,0,0,0|2,0,0]=4 1661 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,0,1,0,0,0|2,0,0]=4 1662 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,0,1,0,0,0|2,0,0]=4 1663 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,1,0,0,0|1,0,0]=3 1664 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,1,0,0,0|1,0,0]=3 1665 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,1,0,0,0|1,0,0]=3 1666 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,1,0,0,0|1,0,0]=3 1667 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,0,1,0,0,0|2,0,0]=4 1668 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,0,1,0,0,0|2,0,0]=4 1669 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,0,1,0,0,0|2,0,0]=4 1670 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,0,1,0,0,0|2,0,0]=4 1671 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,0,1,0,0,0|2,0,0]=4 1672 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,0,1,0,0,0|2,0,0]=4 1673 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,0,1,0,0,0|2,0,0]=4 1674 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,0,1,0,0,0|2,0,0]=4 1675 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,0,1,0,0,0|2,0,0]=4 1676 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,0,1,0,0,0|2,0,0]=4 1677 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,0,1,0,0,0|2,0,0]=4 1678 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,0,1,0,0,0|2,0,0]=4 1679 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,0,1,0,0,0|2,0,0]=4 1680 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,0,1,0,0,0|2,0,0]=4 1681 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,0,1,0,0,0|2,0,0]=4 1682 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,0,1,0,0,0|2,0,0]=4 1683 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,0,1,0,0,0|2,0,0]=4 1684 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,0,1,0,0,0|2,0,0]=4 1685 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,0,1,0,0,0|2,0,0]=4 1686 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,1,0,0,0|2,0,0]=4 1687 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,1,0,0,0|2,0,0]=4 1688 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,1,0,0,0|2,0,0]=4 1689 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,1,0,0,0|2,0,0]=4 1690 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,1,0,0,0|2,0,0]=4 1691 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,1,0,0,0|2,0,0]=4 1692 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,0,1,0,0,0|1,0,1]=4 1693 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,0,1,0,0,0|1,0,1]=4 1694 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,0,1,0,0,0|1,0,0]=3 1695 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,0,1,0,0,0|1,0,0]=3 1696 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,0,1,0,0,0|1,0,0]=3 1697 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,0,1,0,0,0|1,0,0]=3 1698 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,0,1,0,0,0|1,0,0]=3 1699 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,0,1,0,0,0|1,0,0]=3 1700 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,0,1,0,0,0|1,0,0]=3 1701 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,0,1,0,0,0|1,0,0]=3 1702 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [1,0,1,0,0,0|1,0,1]=4 1703 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,0,1,0,0,0|0,0,1]=3 1704 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,0,1,0,0,0|0,0,1]=3 1705 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,0,1,0,0,0|0,0,1]=3 1706 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,0,1,0,0,0|1,0,1]=4 1707 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [1,0,1,0,0,0|1,0,1]=4 1708 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [1,0,1,0,0,0|1,0,1]=4 1709 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [1,0,1,0,0,0|1,0,1]=4 1710 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [1,0,1,0,0,0|1,0,1]=4 1711 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,0,1,0,0,0|1,0,1]=4 1712 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,0,1,0,0,0|1,0,1]=4 1713 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,0,1,0,0,0|0,1,1]=4 1714 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,0,1,0,0,0|0,1,1]=4 1715 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,1,0,0,0|2,0,0]=4 1716 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,1,0,0,0|2,0,0]=4 1717 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,1,0,0,0|2,0,0]=4 1718 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,1,0,0,0|2,0,0]=4 1719 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,1,0,0,0|2,0,0]=4 1720 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,1,0,0,0|2,0,0]=4 1721 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,1,0,0,0|2,0,0]=4 1722 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,1,0,0,0|2,0,0]=4 1723 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,1,0,0,0|2,0,0]=4 1724 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,1,0,0,0|2,0,0]=4 1725 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,1,0,0,0|2,0,0]=4 1726 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,1,0,0,0|2,0,0]=4 1727 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,1,0,0,0|2,0,0]=4 1728 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,1,0,0,0|2,0,0]=4 1729 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,1,0,0,0|2,0,0]=4 1730 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,1,0,0,0|2,0,0]=4 1731 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,1,0,0,0|2,0,0]=4 1732 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,1,0,0,0|2,0,0]=4 1733 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,1,0,0,0|2,0,0]=4 1734 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,1,0,0,0|2,0,0]=4 1735 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,1,0,0,0|2,0,0]=4 1736 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,1,0,0,0|2,0,0]=4 1737 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,1,0,0,0|2,0,0]=4 1738 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,1,0,0,0|2,0,0]=4 1739 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,1,0,0,0|2,0,0]=4 1740 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,1,0,0,0|2,0,0]=4 1741 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,1,0,0,0|2,0,0]=4 1742 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,1,0,0,0|2,0,0]=4 1743 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,1,0,0,0|2,0,0]=4 1744 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,1,0,0,0|2,0,0]=4 1745 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,1,0,0,0|2,0,0]=4 1746 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,1,0,0,0|2,0,0]=4 1747 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,1,0,0,0|2,0,0]=4 1748 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,1,0,0,0|2,0,0]=4 1749 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,1,0,0,0|2,0,0]=4 1750 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,1,0,0,0|2,0,0]=4 1751 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,1,0,0,0|2,0,0]=4 1752 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,1,0,0,0|2,0,0]=4 1753 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,0,1,0,0,0|2,0,0]=4 1754 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,0,1,0,0,0|2,0,0]=4 1755 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,1,0,0,0|2,0,0]=4 1756 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,0,1,0,0,0|2,0,0]=4 1757 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,0,1,0,0,0|2,0,0]=4 1758 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,0,1,0,0,0|2,0,0]=4 1759 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,0,1,0,0,0|2,0,0]=4 1760 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,0,1,0,0,0|2,0,0]=4 1761 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,0,1,0,0,0|2,0,0]=4 1762 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,0,1,0,0,0|2,0,0]=4 1763 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,0,1,0,0,0|2,0,0]=4 1764 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,0,1,0,0,0|2,0,0]=4 1765 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,0,1,0,0,0|2,0,0]=4 1766 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,0,1,0,0,0|2,0,0]=4 1767 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,0,1,0,0,0|2,0,0]=4 1768 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,0,1,0,0,0|2,0,0]=4 1769 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,0,1,0,0,0|2,0,0]=4 1770 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,0,1,0,0,0|2,0,0]=4 1771 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,0,1,0,0,0|2,0,0]=4 1772 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,0,1,0,0,0|2,0,0]=4 1773 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,0,1,0,0,0|2,0,0]=4 1774 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [1,0,1,0,0,0|2,0,0]=4 1775 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [1,0,1,0,0,0|2,0,0]=4 1776 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [1,0,1,0,0,0|2,0,0]=4 1777 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [1,0,1,0,0,0|2,0,0]=4 1778 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [1,0,1,0,0,0|2,0,0]=4 1779 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,1,0,0,0|2,0,0]=4 1780 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,1,0,0,0|2,0,0]=4 1781 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,1,0,0,0|2,0,0]=4 1782 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,1,0,0,0|2,0,0]=4 1783 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,1,0,0,0|2,0,0]=4 1784 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,1,0,0,0|2,0,0]=4 1785 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,0,1,0,0,0|2,0,0]=4 1786 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,0,1,0,0,0|2,0,0]=4 1787 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,0,1,0,0,0|2,0,0]=4 1788 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,0,1,0,0,0|2,0,0]=4 1789 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,0,1,0,0,0|2,0,0]=4 1790 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,0,1,0,0,0|2,0,0]=4 1791 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,0,1,0,0,0|2,0,0]=4 1792 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,0,1,0,0,0|2,0,0]=4 1793 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,0,1,0,0,0|2,0,0]=4 1794 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,0,1,0,0,0|2,0,0]=4 1795 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,0,1,0,0,0|2,0,0]=4 1796 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,0,1,0,0,0|2,0,0]=4 1797 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,0,1,0,0,0|2,0,0]=4 1798 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,0,1,0,0,0|2,0,0]=4 1799 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,0,1,0,0,0|2,0,0]=4 1800 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,0,1,0,0,0|2,0,0]=4 1801 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,0,1,0,0,0|2,0,0]=4 1802 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,0,1,0,0,0|2,0,0]=4 1803 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,0,1,0,0,0|2,0,0]=4 1804 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,0,1,0,0,0|1,0,0]=3 1805 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,0,1,0,0,0|1,0,0]=3 1806 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,0,1,0,0,0|2,0,0]=4 1807 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,0,1,0,0,0|2,0,0]=4 1808 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,0,1,0,0,0|2,0,0]=4 1809 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,0,1,0,0,0|1,0,0]=3 1810 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,0,1,0,0,0|1,0,0]=3 1811 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,0,1,0,0,0|1,0,0]=3 1812 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,0,1,0,0,0|1,0,1]=4 1813 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,0,1,0,0,0|1,0,1]=4 1814 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,1,0,0,0|1,0,0]=3 1815 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,1,0,0,0|1,0,0]=3 1816 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,1,0,0,0|2,0,0]=4 1817 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,1,0,0,0|2,0,0]=4 1818 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,1,0,0,0|2,0,0]=4 1819 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,1,0,0,0|2,0,0]=4 1820 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,1,0,0,0|2,0,0]=4 1821 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,1,0,0,0|2,0,0]=4 1822 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,0,1,0,0,0|1,0,0]=3 1823 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,0,1,0,0,0|1,0,0]=3 1824 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,0,1,0,0,0|1,0,0]=3 1825 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,0,1,0,0,0|1,0,0]=3 1826 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,0,1,0,0,0|2,0,0]=4 1827 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,0,1,0,0,0|2,0,0]=4 1828 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,0,1,0,0,0|2,0,0]=4 1829 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,0,1,0,0,0|2,0,0]=4 1830 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,0,1,0,0,0|2,0,0]=4 1831 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,0,1,0,0,0|2,0,0]=4 1832 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,0,1,0,0,0|2,0,0]=4 1833 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,0,1,0,0,0|2,0,0]=4 1834 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,1,0,0,0|1,0,1]=4 1835 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,1,0,0,0|1,0,1]=4 1836 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,1,0,0,0|1,0,1]=4 1837 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,0,1,0,0,0|2,0,0]=4 1838 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,0,1,0,0,0|2,0,0]=4 1839 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,0,1,0,0,0|2,0,0]=4 1840 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,0,1,0,0,0|2,0,0]=4 1841 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,0,1,0,0,0|2,0,0]=4 1842 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,0,1,0,0,0|2,0,0]=4 1843 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,0,1,0,0,0|2,0,0]=4 1844 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,0,1,0,0,0|2,0,0]=4 1845 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,1,0,0,0|2,0,0]=4 1846 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,1,0,0,0|2,0,0]=4 1847 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,0,1,0,0,0|2,0,0]=4 1848 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,0,1,0,0,0|2,0,0]=4 1849 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,0,1,0,0,0|2,0,0]=4 1850 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,0,1,0,0,0|2,0,0]=4 1851 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,0,1,0,0,0|2,0,0]=4 1852 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,0,1,0,0,0|2,0,0]=4 1853 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,0,1,0,0,0|2,0,0]=4 1854 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,0,1,0,0,0|2,0,0]=4 1855 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,0,1,0,0,0|2,0,0]=4 1856 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,0,1,0,0,0|2,0,0]=4 1857 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,0,1,0,0,0|2,0,0]=4 1858 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,0,1,0,0,0|2,0,0]=4 1859 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,0,1,0,0,0|2,0,0]=4 1860 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,0,1,0,0,0|2,0,0]=4 1861 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,0,1,0,0,0|2,0,0]=4 1862 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,0,1,0,0,0|2,0,0]=4 1863 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,0,1,0,0,0|2,0,0]=4 1864 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,0,1,0,0,0|2,0,0]=4 1865 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [1,0,1,0,0,0|2,0,0]=4 1866 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [1,0,1,0,0,0|2,0,0]=4 1867 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,0,1,0,0,0|2,0,0]=4 1868 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,0,1,0,0,0|2,0,0]=4 1869 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,0,1,0,0,0|2,0,0]=4 1870 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,0,1,0,0,0|2,0,0]=4 1871 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [1,0,1,0,0,0|2,0,0]=4 1872 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [1,0,1,0,0,0|2,0,0]=4 1873 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,0,1,0,0,0|1,0,1]=4 1874 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,0,1,0,0,0|1,0,1]=4 1875 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,0,1,0,0,0|1,0,0]=3 1876 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,0,1,0,0,0|1,0,0]=3 1877 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,0,1,0,0,0|1,0,0]=3 1878 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,0,1,0,0,0|1,0,0]=3 1879 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,0,1,0,0,0|1,0,0]=3 1880 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,0,1,0,0,0|1,0,0]=3 1881 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,0,1,0,0,0|1,0,0]=3 1882 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,0,1,0,0,0|1,0,1]=4 1883 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,0,1,0,0,0|1,0,1]=4 1884 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,0,1,0,0,0|1,0,1]=4 1885 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,0,1,0,0,0|2,0,0]=4 1886 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,0,1,0,0,0|2,0,0]=4 1887 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,0,1,0,0,0|1,0,0]=3 1888 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,0,1,0,0,0|1,0,0]=3 1889 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,0,1,0,0,0|2,0,0]=4 1890 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,0,1,0,0,0|2,0,0]=4 1891 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,0,1,0,0,0|2,0,0]=4 1892 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,0,1,0,0,0|2,0,0]=4 1893 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [1,0,1,0,0,0|1,0,0]=3 1894 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,0,1,0,0,0|1,0,0]=3 1895 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,0,1,0,0,0|1,0,0]=3 1896 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,0,1,0,0,0|1,0,0]=3 1897 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,0,1,0,0,0|1,0,0]=3 1898 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [1,0,1,0,0,0|1,0,1]=4 1899 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [1,0,1,0,0,0|2,0,0]=4 1900 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [1,0,1,0,0,0|2,0,0]=4 1901 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [1,0,1,0,0,0|2,0,0]=4 1902 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [1,0,1,0,0,0|2,0,0]=4 1903 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [1,0,1,0,0,0|2,0,0]=4 1904 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [1,0,1,0,0,0|2,0,0]=4 1905 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [1,0,1,0,0,0|2,0,0]=4 1906 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [1,0,1,0,0,0|2,0,0]=4 1907 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,0,1,0,0,0|2,0,0]=4 1908 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,0,1,0,0,0|2,0,0]=4 1909 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [1,0,1,0,0,0|1,0,1]=4 1910 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [1,0,1,0,0,0|1,0,1]=4 1911 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,0,1,0,0,0|0,0,1]=3 1912 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,0,1,0,0,0|0,0,1]=3 1913 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [1,0,1,0,0,0|1,0,1]=4 1914 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [1,0,1,0,0,0|1,0,1]=4 1915 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [1,0,1,0,0,0|0,1,1]=4 1916 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [1,0,1,0,0,0|0,1,1]=4 1917 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [1,0,1,0,0,0|1,0,1]=4 1918 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [1,0,1,0,0,0|1,0,1]=4 1919 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [1,0,1,0,0,0|1,0,1]=4 1920 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [1,0,1,0,0,0|1,0,1]=4 1921 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [1,0,1,0,0,0|1,0,1]=4 1922 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [1,0,1,0,0,0|1,0,1]=4 1923 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [1,0,1,0,0,0|1,0,1]=4 1924 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [1,0,1,0,0,0|0,0,1]=3 1925 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [1,0,1,0,0,0|0,0,1]=3 1926 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [1,0,1,0,0,0|0,0,1]=3 1927 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [1,0,1,0,0,0|0,0,1]=3 1928 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [1,0,1,0,0,0|0,0,1]=3 1929 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [1,0,1,0,0,0|0,1,1]=4 1930 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [1,0,1,0,0,0|0,1,1]=4 1931 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [1,0,1,0,0,0|0,1,1]=4 1932 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [1,0,1,0,0,0|0,1,1]=4 1933 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [1,0,1,0,0,0|2,0,0]=4 1934 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [1,0,1,0,0,0|2,0,0]=4 1935 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [1,0,1,0,0,0|1,0,1]=4 1936 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [1,0,1,0,0,0|1,0,1]=4 1937 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [1,0,1,0,0,0|1,0,1]=4 1938 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [1,0,1,0,0,0|1,0,1]=4 1939 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [1,0,1,0,0,0|1,0,1]=4 1940 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,0,1,0,0,0|1,0,1]=4 1941 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,0,1,0,0,0|1,0,0]=3 1942 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,0,1,0,0,0|1,0,0]=3 1943 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,0,1,0,0,0|2,0,0]=4 1944 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,0,1,0,0,0|2,0,0]=4 1945 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,0,1,0,0,0|2,0,0]=4 1946 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,0,1,0,0,0|2,0,0]=4 1947 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,0,1,0,0,0|1,0,0]=3 1948 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,0,1,0,0,0|2,0,0]=4 1949 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,0,1,0,0,0|1,0,0]=3 1950 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,0,1,0,0,0|1,0,0]=3 1951 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,0,1,0,0,0|1,0,0]=3 1952 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,0,1,0,0,0|1,0,0]=3 1953 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,0,1,0,0,0|2,0,0]=4 1954 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,0,1,0,0,0|2,0,0]=4 1955 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,0,1,0,0,0|2,0,0]=4 1956 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,0,1,0,0,0|2,0,0]=4 1957 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,0,1,0,0,0|2,0,0]=4 1958 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,0,1,0,0,0|2,0,0]=4 1959 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,0,1,0,0,0|2,0,0]=4 1960 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,0,1,0,0,0|2,0,0]=4 1961 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,0,1,0,0,0|2,0,0]=4 1962 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,0,1,0,0,0|2,0,0]=4 1963 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,0,1,0,0,0|2,0,0]=4 1964 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,0,1,0,0,0|2,0,0]=4 1965 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,0,1,0,0,0|2,0,0]=4 1966 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,0,1,0,0,0|2,0,0]=4 1967 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,0,1,0,0,0|2,0,0]=4 1968 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,0,1,0,0,0|2,0,0]=4 1969 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,0,1,0,0,0|2,0,0]=4 1970 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,0,1,0,0,0|2,0,0]=4 1971 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,0,1,0,0,0|2,0,0]=4 1972 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,0,1,0,0,0|2,0,0]=4 1973 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [1,0,1,0,0,0|1,0,1]=4 1974 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,0,1,0,0,0|2,0,0]=4 1975 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [2,0,0,0,0,0|2,0,0]=4 1976 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [2,0,0,0,0,0|2,0,0]=4 1977 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [2,0,0,0,0,0|2,0,0]=4 1978 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [2,0,0,0,0,0|1,0,1]=4 1979 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [2,0,0,0,0,0|2,0,0]=4 1980 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [2,0,0,0,0,0|2,0,0]=4 1981 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [2,0,0,0,0,0|2,0,0]=4 1982 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [2,0,0,0,0,0|1,0,1]=4 1983 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [2,0,0,0,0,0|2,0,0]=4 1984 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [2,0,0,0,0,0|2,0,0]=4 1985 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,1,0,0,0|1,0,1]=4 1986 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,1,0,0,0|1,0,1]=4 1987 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,1,0,0,0|1,0,1]=4 1988 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,1,1,0,0,0|2,0,0]=4 1989 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,1,1,0,0,0|1,0,0]=3 1990 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,1,1,0,0,0|2,0,0]=4 1991 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,1,1,0,0,0|2,0,0]=4 1992 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,1,1,0,0,0|2,0,0]=4 1993 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,1,1,0,0,0|1,0,1]=4 1994 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,1,1,0,0,0|2,0,0]=4 1995 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,1,1,0,0,0|2,0,0]=4 1996 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,1,1,0,0,0|1,0,1]=4 1997 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,1,1,0,0,0|1,0,1]=4 1998 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,1,1,0,0,0|2,0,0]=4 1999 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,1,1,0,0,0|2,0,0]=4 2000 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,1,1,0,0,0|2,0,0]=4 2001 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,1,1,0,0,0|2,0,0]=4 2002 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,1,1,0,0,0|2,0,0]=4 2003 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,1,1,0,0,0|2,0,0]=4 2004 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,1,1,0,0,0|2,0,0]=4 2005 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,1,1,0,0,0|2,0,0]=4 2006 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,1,1,0,0,0|2,0,0]=4 2007 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,1,1,0,0,0|2,0,0]=4 2008 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,1,1,0,0,0|2,0,0]=4 2009 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,1,1,0,0,0|2,0,0]=4 2010 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,1,1,0,0,0|2,0,0]=4 2011 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,1,0,0,0|2,0,0]=4 2012 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,1,1,0,0,0|2,0,0]=4 2013 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,1,1,0,0,0|1,0,0]=3 2014 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,1,1,0,0,0|2,0,0]=4 2015 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,1,1,0,0,0|1,0,1]=4 2016 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,1,1,0,0,0|1,0,1]=4 2017 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,1,1,0,0,0|2,0,0]=4 2018 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,1,1,0,0,0|2,0,0]=4 2019 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,1,1,0,0,0|2,0,0]=4 2020 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,1,1,0,0,0|2,0,0]=4 2021 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,1,1,0,0,0|2,0,0]=4 2022 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,1,0,0,0|1,0,1]=4 2023 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,1,0,0,0|1,0,1]=4 2024 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,1,0,0,0|1,0,1]=4 2025 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,1,1,0,0,0|0,0,2]=4 2026 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,1,1,0,0,0|2,0,0]=4 2027 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,1,0,0,0|2,0,0]=4 2028 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,1,0,0,0|2,0,0]=4 2029 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,1,0,0,0|2,0,0]=4 2030 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,1,0,0,0|2,0,0]=4 2031 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,1,0,0,0|2,0,0]=4 2032 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,1,0,0,0|2,0,0]=4 2033 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,1,0,0,0|2,0,0]=4 2034 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,1,0,0,0|2,0,0]=4 2035 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,1,0,0,0|2,0,0]=4 2036 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,1,0,0,0|2,0,0]=4 2037 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,1,0,0,0|2,0,0]=4 2038 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,1,0,0,0|2,0,0]=4 2039 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,1,1,0,0,0|2,0,0]=4 2040 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,1,1,0,0,0|2,0,0]=4 2041 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,1,1,0,0,0|2,0,0]=4 2042 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,1,1,0,0,0|2,0,0]=4 2043 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,1,1,0,0,0|2,0,0]=4 2044 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,1,1,0,0,0|2,0,0]=4 2045 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,1,0,0,0|1,0,1]=4 2046 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,1,0,0,0|1,0,1]=4 2047 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,1,0,0,0|1,0,1]=4 2048 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,1,1,0,0,0|0,0,2]=4 2049 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,1,0,0,0|1,0,1]=4 2050 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,1,0,0,0|1,0,0]=3 2051 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,1,0,0,0|1,0,0]=3 2052 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,1,0,0,0|2,0,0]=4 2053 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,1,0,0,0|2,0,0]=4 2054 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,1,0,0,0|2,0,0]=4 2055 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,1,0,0,0|2,0,0]=4 2056 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,1,0,0,0|2,0,0]=4 2057 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,1,0,0,0|2,0,0]=4 2058 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,1,0,0,0|2,0,0]=4 2059 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,1,0,0,0|2,0,0]=4 2060 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,1,0,0,0|2,0,0]=4 2061 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,1,0,0,0|2,0,0]=4 2062 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,1,0,0,0|2,0,0]=4 2063 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,1,0,0,0|2,0,0]=4 2064 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,1,0,0,0|2,0,0]=4 2065 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,1,0,0,0|2,0,0]=4 2066 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,1,0,0,0|2,0,0]=4 2067 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,1,0,0,0|2,0,0]=4 2068 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,1,0,0,0|2,0,0]=4 2069 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,1,0,0,0|2,0,0]=4 2070 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,1,0,0,0|2,0,0]=4 2071 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,1,0,0,0|2,0,0]=4 2072 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,1,0,0,0|2,0,0]=4 2073 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,1,0,0,0|2,0,0]=4 2074 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,1,0,0,0|2,0,0]=4 2075 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,1,0,0,0|2,0,0]=4 2076 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,1,0,0,0|2,0,0]=4 2077 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,1,0,0,0|2,0,0]=4 2078 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,1,0,0,0|2,0,0]=4 2079 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,1,0,0,0|2,0,0]=4 2080 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,1,0,0,0|2,0,0]=4 2081 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,1,0,0,0|2,0,0]=4 2082 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,1,0,0,0|2,0,0]=4 2083 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,1,0,0,0|2,0,0]=4 2084 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,1,0,0,0|2,0,0]=4 2085 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,1,0,0,0|2,0,0]=4 2086 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,1,0,0,0|2,0,0]=4 2087 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,1,0,0,0|2,0,0]=4 2088 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,1,0,0,0|2,0,0]=4 2089 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,1,0,0,0|2,0,0]=4 2090 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,1,0,0,0|2,0,0]=4 2091 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,1,1,0,0,0|0,0,2]=4 2092 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,1,0,0,0|1,0,1]=4 2093 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,1,0,0,0|1,0,1]=4 2094 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,1,0,0,0|1,0,1]=4 2095 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,1,0,0,0|1,0,1]=4 2096 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,1,0,0,0|1,0,1]=4 2097 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,1,0,0,0|1,0,0]=3 2098 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,1,0,0,0|1,0,0]=3 2099 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,1,0,0,0|1,0,0]=3 2100 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,1,0,0,0|1,0,0]=3 2101 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,1,0,0,0|1,0,0]=3 2102 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,1,0,0,0|1,0,0]=3 2103 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,1,0,0,0|1,0,0]=3 2104 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,1,0,0,0|1,0,0]=3 2105 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,1,0,0,0|1,0,0]=3 2106 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,1,0,0,0|0,0,0]=2 2107 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,1,0,0,0|1,0,1]=4 2108 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,1,0,0,0|1,0,1]=4 2109 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,1,0,0,0|1,0,1]=4 2110 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,1,0,0,0|1,0,1]=4 2111 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,1,0,0,0|1,0,0]=3 2112 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,1,0,0,0|1,0,0]=3 2113 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,1,0,0,0|1,0,0]=3 2114 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,1,0,0,0|0,0,1]=3 2115 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,1,0,0,0|1,0,1]=4 2116 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,1,0,0,0|1,0,1]=4 2117 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,1,0,0,0|1,0,1]=4 2118 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,1,0,0,0|1,0,1]=4 2119 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,1,1,0,0,0|1,0,1]=4 2120 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,1,0,0,0|1,0,0]=3 2121 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,1,0,0,0|1,0,0]=3 2122 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,1,0,0,0|0,0,1]=3 2123 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,1,0,0,0|0,0,1]=3 2124 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,1,0,0,0|1,0,1]=4 2125 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,1,0,0,0|1,0,1]=4 2126 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,1,0,0,0|1,0,1]=4 2127 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,1,0,0,0|1,0,1]=4 2128 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,1,1,0,0,0|1,0,1]=4 2129 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,1,0,0,0|1,0,0]=3 2130 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,1,0,0,0|1,0,1]=4 2131 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,1,0,0,0|1,0,1]=4 2132 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,1,0,0,0|1,0,0]=3 2133 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,1,0,0,0|1,0,0]=3 2134 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,1,0,0,0|1,0,0]=3 2135 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,1,0,0,0|1,0,0]=3 2136 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,1,0,0,0|1,0,0]=3 2137 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,1,0,0,0|1,0,0]=3 2138 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,1,0,0,0|1,0,0]=3 2139 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,1,0,0,0|1,0,0]=3 2140 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,1,0,0,0|1,0,1]=4 2141 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,1,0,0,0|1,0,1]=4 2142 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,1,0,0,0|2,0,0]=4 2143 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,1,0,0,0|1,0,0]=3 2144 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,1,0,0,0|1,0,0]=3 2145 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,1,0,0,0|1,0,0]=3 2146 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,1,0,0,0|1,0,0]=3 2147 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,1,0,0,0|1,0,1]=4 2148 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,1,0,0,0|1,0,1]=4 2149 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,1,0,0,0|2,0,0]=4 2150 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,1,0,0,0|2,0,0]=4 2151 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,1,0,0,0|1,0,0]=3 2152 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,1,0,0,0|1,0,0]=3 2153 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,1,0,0,0|1,0,0]=3 2154 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,1,0,0,0|1,0,1]=4 2155 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,1,0,0,0|1,0,1]=4 2156 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,1,0,0,0|2,0,0]=4 2157 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,1,0,0,0|2,0,0]=4 2158 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,1,0,0,0|2,0,0]=4 2159 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,1,0,0,0|2,0,0]=4 2160 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,1,1,0,0,0|2,0,0]=4 2161 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,1,1,0,0,0|2,0,0]=4 2162 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,1,1,0,0,0|2,0,0]=4 2163 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,1,0,0,0|2,0,0]=4 2164 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,1,0,0,0|2,0,0]=4 2165 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,1,0,0,0|1,0,0]=3 2166 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,1,0,0,0|1,0,0]=3 2167 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,1,0,0,0|1,0,0]=3 2168 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,1,0,0,0|1,0,0]=3 2169 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,1,0,0,0|1,0,0]=3 2170 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,1,0,0,0|1,0,0]=3 2171 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,1,0,0,0|1,0,1]=4 2172 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,1,0,0,0|1,0,1]=4 2173 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,1,1,0,0,0|1,0,1]=4 2174 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,1,0,0,0|2,0,0]=4 2175 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,1,0,0,0|2,0,0]=4 2176 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,1,1,0,0,0|2,0,0]=4 2177 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,1,1,0,0,0|2,0,0]=4 2178 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,1,0,0,0|2,0,0]=4 2179 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,1,0,0,0|2,0,0]=4 2180 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,1,0,0,0|2,0,0]=4 2181 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,1,0,0,0|2,0,0]=4 2182 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,1,0,0,0|2,0,0]=4 2183 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,1,1,0,0,0|2,0,0]=4 2184 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,1,0,0,0|1,0,0]=3 2185 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,1,0,0,0|2,0,0]=4 2186 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,1,1,0,0,0|2,0,0]=4 2187 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,1,1,0,0,0|2,0,0]=4 2188 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,1,1,0,0,0|1,0,1]=4 2189 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,1,1,0,0,0|1,0,1]=4 2190 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,1,0,0,0|1,0,0]=3 2191 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,1,0,0,0|1,0,0]=3 2192 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,1,0,0,0|1,0,0]=3 2193 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,1,0,0,0|1,0,0]=3 2194 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,1,0,0,0|1,0,1]=4 2195 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,1,0,0,0|1,0,1]=4 2196 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,1,0,0,0|2,0,0]=4 2197 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,1,0,0,0|2,0,0]=4 2198 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,1,0,0,0|2,0,0]=4 2199 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,1,0,0,0|2,0,0]=4 2200 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,1,0,0,0|2,0,0]=4 2201 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,1,0,0,0|2,0,0]=4 2202 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,1,1,0,0,0|2,0,0]=4 2203 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,1,1,0,0,0|2,0,0]=4 2204 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,1,0,0,0|2,0,0]=4 2205 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,1,0,0,0|2,0,0]=4 2206 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,1,0,0,0|2,0,0]=4 2207 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,1,0,0,0|2,0,0]=4 2208 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,1,0,0,0|1,0,0]=3 2209 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,1,0,0,0|2,0,0]=4 2210 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,1,0,0,0|1,0,0]=3 2211 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,1,1,0,0,0|1,0,1]=4 2212 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,1,0,0,0|1,0,0]=3 2213 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,1,0,0,0|1,0,0]=3 2214 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,1,0,0,0|1,0,0]=3 2215 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,1,1,0,0,0|1,0,1]=4 2216 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,1,1,0,0,0|1,0,1]=4 2217 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,1,0,0,0|2,0,0]=4 2218 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,1,0,0,0|2,0,0]=4 2219 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,1,0,0,0|2,0,0]=4 2220 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,1,0,0,0|2,0,0]=4 2221 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,1,0,0,0|2,0,0]=4 2222 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,1,0,0,0|2,0,0]=4 2223 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,1,1,0,0,0|2,0,0]=4 2224 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,1,1,0,0,0|2,0,0]=4 2225 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,1,1,0,0,0|2,0,0]=4 2226 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,1,0,0,0|1,0,0]=3 2227 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,1,1,0,0,0|1,0,1]=4 2228 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,1,0,0,0|2,0,0]=4 2229 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,1,0,0,0|2,0,0]=4 2230 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,1,0,0,0|2,0,0]=4 2231 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,1,0,0,0|2,0,0]=4 2232 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,1,0,0,0|1,0,1]=4 2233 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,1,1,0,0,0|2,0,0]=4 2234 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,1,1,0,0,0|2,0,0]=4 2235 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,1,1,0,0,0|1,0,1]=4 2236 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,1,1,0,0,0|1,0,1]=4 2237 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,1,1,0,0,0|1,0,1]=4 2238 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,1,1,0,0,0|1,0,1]=4 2239 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,1,0,0,0|1,0,0]=3 2240 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,1,0,0,0|1,0,0]=3 2241 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,1,0,0,0|2,0,0]=4 2242 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,1,0,0,0|2,0,0]=4 2243 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,1,0,0,0|2,0,0]=4 2244 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,1,0,0,0|2,0,0]=4 2245 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,1,1,0,0,0|2,0,0]=4 2246 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,1,0,0,0|2,0,0]=4 2247 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,1,0,0,0|2,0,0]=4 2248 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,1,0,0,0|2,0,0]=4 2249 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,1,0,0,0|2,0,0]=4 2250 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,1,0,0,0|1,0,1]=4 2251 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,1,1,0,0,0|1,0,1]=4 2252 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,1,0,0,0|1,0,0]=3 2253 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,1,0,0,0|2,0,0]=4 2254 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,1,0,0,0|2,0,0]=4 2255 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,1,0,0,0|2,0,0]=4 2256 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,1,1,0,0,0|1,0,1]=4 2257 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,1,0,0,0|1,0,0]=3 2258 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,1,0,0,0|1,0,0]=3 2259 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,1,0,0,0|1,0,0]=3 2260 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,1,0,0,0|0,0,1]=3 2261 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,1,0,0,0|2,0,0]=4 2262 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,1,0,0,0|2,0,0]=4 2263 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,1,0,0,0|2,0,0]=4 2264 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,1,0,0,0|2,0,0]=4 2265 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,1,1,0,0,0|2,0,0]=4 2266 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,1,1,0,0,0|2,0,0]=4 2267 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,1,1,0,0,0|2,0,0]=4 2268 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,1,0,0,0|1,0,0]=3 2269 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,1,1,0,0,0|1,0,1]=4 2270 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,1,0,0,0|2,0,0]=4 2271 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,1,1,0,0,0|2,0,0]=4 2272 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,1,1,0,0,0|2,0,0]=4 2273 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,1,1,0,0,0|1,0,1]=4 2274 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,1,1,0,0,0|2,0,0]=4 2275 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,1,1,0,0,0|2,0,0]=4 2276 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,1,1,0,0,0|1,0,1]=4 2277 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,1,1,0,0,0|1,0,1]=4 2278 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,1,1,0,0,0|2,0,0]=4 2279 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,1,1,0,0,0|2,0,0]=4 2280 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,1,1,0,0,0|2,0,0]=4 2281 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,1,0,0,0|2,0,0]=4 2282 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,1,0,0,0|2,0,0]=4 2283 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,1,0,0,0|2,0,0]=4 2284 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,1,0,0,0|2,0,0]=4 2285 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,1,1,0,0,0|2,0,0]=4 2286 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,1,1,0,0,0|2,0,0]=4 2287 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,1,1,0,0,0|2,0,0]=4 2288 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,1,1,0,0,0|2,0,0]=4 2289 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,1,0,0,0|2,0,0]=4 2290 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,1,0,0,0|2,0,0]=4 2291 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,1,1,0,0,0|2,0,0]=4 2292 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,1,1,0,0,0|2,0,0]=4 2293 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,1,0,0,0|2,0,0]=4 2294 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,1,0,0,0|2,0,0]=4 2295 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,1,1,0,0,0|2,0,0]=4 2296 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,1,1,0,0,0|2,0,0]=4 2297 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,1,1,0,0,0|1,0,1]=4 2298 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,1,1,0,0,0|1,0,1]=4 2299 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,1,0,0,0|1,0,0]=3 2300 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,1,0,0,0|1,0,0]=3 2301 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,1,0,0,0|2,0,0]=4 2302 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,1,0,0,0|2,0,0]=4 2303 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,1,0,0,0|2,0,0]=4 2304 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,1,0,0,0|2,0,0]=4 2305 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,1,1,0,0,0|2,0,0]=4 2306 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,1,1,0,0,0|2,0,0]=4 2307 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,1,1,0,0,0|1,0,1]=4 2308 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,1,1,0,0,0|2,0,0]=4 2309 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,1,1,0,0,0|2,0,0]=4 2310 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,1,0,0,0|2,0,0]=4 2311 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,1,0,0,0|2,0,0]=4 2312 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,1,0,0,0|2,0,0]=4 2313 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,1,1,0,0,0|2,0,0]=4 2314 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,1,1,0,0,0|2,0,0]=4 2315 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,1,1,0,0,0|2,0,0]=4 2316 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,1,1,0,0,0|2,0,0]=4 2317 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,1,0,0,0|2,0,0]=4 2318 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,1,0,0,0|2,0,0]=4 2319 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,1,1,0,0,0|2,0,0]=4 2320 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,1,1,0,0,0|2,0,0]=4 2321 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,1,1,0,0,0|1,0,1]=4 2322 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,1,1,0,0,0|1,0,1]=4 2323 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,1,1,0,0,0|1,0,1]=4 2324 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,1,0,0,0|2,0,0]=4 2325 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,1,0,0,0|2,0,0]=4 2326 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,1,0,0,0|2,0,0]=4 2327 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,1,0,0,0|2,0,0]=4 2328 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,1,0,0,0|2,0,0]=4 2329 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,1,1,0,0,0|2,0,0]=4 2330 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,1,1,0,0,0|1,0,1]=4 2331 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,1,0,0,0|1,0,0]=3 2332 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,1,0,0,0|2,0,0]=4 2333 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,1,0,0,0|2,0,0]=4 2334 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,1,0,0,0|2,0,0]=4 2335 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,1,0,0,0|2,0,0]=4 2336 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,1,0,0,0|2,0,0]=4 2337 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,1,1,0,0,0|2,0,0]=4 2338 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,1,0,0,0|1,0,0]=3 2339 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,1,0,0,0|2,0,0]=4 2340 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,1,1,0,0,0|2,0,0]=4 2341 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,1,1,0,0,0|1,0,1]=4 2342 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,1,1,0,0,0|2,0,0]=4 2343 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,1,1,0,0,0|2,0,0]=4 2344 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,1,1,0,0,0|1,0,1]=4 2345 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,1,1,0,0,0|1,0,1]=4 2346 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,1,1,0,0,0|2,0,0]=4 2347 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,1,1,0,0,0|2,0,0]=4 2348 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,1,0,0,0|2,0,0]=4 2349 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,1,0,0,0|2,0,0]=4 2350 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,1,1,0,0,0|2,0,0]=4 2351 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,1,1,0,0,0|2,0,0]=4 2352 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,1,1,0,0,0|2,0,0]=4 2353 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,1,0,0,0|2,0,0]=4 2354 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,1,0,0,0|2,0,0]=4 2355 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,1,1,0,0,0|2,0,0]=4 2356 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,1,1,0,0,0|2,0,0]=4 2357 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,1,1,0,0,0|2,0,0]=4 2358 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,1,0,0,0|2,0,0]=4 2359 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,1,0,0,0|2,0,0]=4 2360 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,1,0,0,0|2,0,0]=4 2361 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,1,0,0,0|2,0,0]=4 2362 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,1,1,0,0,0|2,0,0]=4 2363 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,1,1,0,0,0|2,0,0]=4 2364 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,1,0,0,0|2,0,0]=4 2365 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,1,0,0,0|2,0,0]=4 2366 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,1,1,0,0,0|2,0,0]=4 2367 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,1,1,0,0,0|2,0,0]=4 2368 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,1,1,0,0,0|2,0,0]=4 2369 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,1,0,0,0|2,0,0]=4 2370 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,1,0,0,0|2,0,0]=4 2371 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,1,1,0,0,0|1,0,1]=4 2372 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,1,1,0,0,0|1,0,1]=4 2373 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,1,0,0,0|2,0,0]=4 2374 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,1,0,0,0|2,0,0]=4 2375 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,1,1,0,0,0|2,0,0]=4 2376 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,1,1,0,0,0|2,0,0]=4 2377 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,1,1,0,0,0|1,0,1]=4 2378 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,1,1,0,0,0|2,0,0]=4 2379 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,1,0,0,0|2,0,0]=4 2380 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,1,1,0,0,0|2,0,0]=4 2381 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,1,1,0,0,0|2,0,0]=4 2382 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,1,1,0,0,0|2,0,0]=4 2383 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,1,0,0,0|2,0,0]=4 2384 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,1,0,0,0|2,0,0]=4 2385 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,1,0,0,0|2,0,0]=4 2386 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,1,0,0,0|2,0,0]=4 2387 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,1,1,0,0,0|2,0,0]=4 2388 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,1,1,0,0,0|2,0,0]=4 2389 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,1,0,0,0|2,0,0]=4 2390 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,1,0,0,0|2,0,0]=4 2391 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,1,1,0,0,0|2,0,0]=4 2392 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,1,1,0,0,0|2,0,0]=4 2393 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,1,1,0,0,0|2,0,0]=4 2394 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,1,1,0,0,0|2,0,0]=4 2395 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,1,1,0,0,0|2,0,0]=4 2396 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,1,0,0,0|2,0,0]=4 2397 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,1,0,0,0|2,0,0]=4 2398 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,1,1,0,0,0|1,0,1]=4 2399 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,1,1,0,0,0|2,0,0]=4 2400 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,1,1,0,0,0|2,0,0]=4 2401 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,1,1,0,0,0|2,0,0]=4 2402 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,1,1,0,0,0|2,0,0]=4 2403 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,1,1,0,0,0|2,0,0]=4 2404 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,1,0,0,0|2,0,0]=4 2405 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,1,1,0,0,0|2,0,0]=4 2406 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,1,1,0,0,0|2,0,0]=4 2407 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,1,0,0,0|2,0,0]=4 2408 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,1,0,0,0|2,0,0]=4 2409 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,1,1,0,0,0|2,0,0]=4 2410 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,1,1,0,0,0|2,0,0]=4 2411 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,1,1,0,0,0|2,0,0]=4 2412 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,1,1,0,0,0|2,0,0]=4 2413 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,1,1,0,0,0|2,0,0]=4 2414 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,1,1,0,0,0|2,0,0]=4 2415 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,1,1,0,0,0|2,0,0]=4 2416 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,1,1,0,0,0|2,0,0]=4 2417 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,1,1,0,0,0|2,0,0]=4 2418 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,1,1,0,0,0|2,0,0]=4 2419 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,1,1,0,0,0|2,0,0]=4 2420 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,1,1,0,0,0|2,0,0]=4 2421 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,1,1,0,0,0|2,0,0]=4 2422 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,1,1,0,0,0|2,0,0]=4 2423 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,1,1,0,0,0|2,0,0]=4 2424 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,1,1,0,0,0|2,0,0]=4 2425 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,1,1,0,0,0|2,0,0]=4 2426 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,1,1,0,0,0|2,0,0]=4 2427 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,1,1,0,0,0|2,0,0]=4 2428 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,1,1,0,0,0|2,0,0]=4 2429 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,1,0,0,0|2,0,0]=4 2430 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,1,0,0,0|2,0,0]=4 2431 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,1,1,0,0,0|2,0,0]=4 2432 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,1,1,0,0,0|2,0,0]=4 2433 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,1,1,0,0,0|2,0,0]=4 2434 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,1,1,0,0,0|2,0,0]=4 2435 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,1,1,0,0,0|2,0,0]=4 2436 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,1,0,0,0|2,0,0]=4 2437 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,1,0,0,0|2,0,0]=4 2438 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,1,0,0,0|2,0,0]=4 2439 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,1,1,0,0,0|2,0,0]=4 2440 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,1,1,0,0,0|2,0,0]=4 2441 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,1,1,0,0,0|2,0,0]=4 2442 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,1,1,0,0,0|2,0,0]=4 2443 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,1,1,0,0,0|2,0,0]=4 2444 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,1,1,0,0,0|2,0,0]=4 2445 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,1,1,0,0,0|2,0,0]=4 2446 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,1,1,0,0,0|2,0,0]=4 2447 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,1,0,0,0|2,0,0]=4 2448 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,1,0,0,0|2,0,0]=4 2449 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,1,1,0,0,0|2,0,0]=4 2450 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,1,1,0,0,0|1,0,1]=4 2451 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,1,1,0,0,0|2,0,0]=4 2452 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,1,1,0,0,0|2,0,0]=4 2453 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,1,0,0,0|1,0,0]=3 2454 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,1,0,0,0|1,0,0]=3 2455 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,1,1,0,0,0|2,0,0]=4 2456 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,1,1,0,0,0|2,0,0]=4 2457 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,1,1,0,0,0|2,0,0]=4 2458 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,1,1,0,0,0|2,0,0]=4 2459 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,1,1,0,0,0|2,0,0]=4 2460 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,1,1,0,0,0|1,0,1]=4 2461 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,1,0,0,0|1,0,1]=4 2462 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,1,1,0,0,0|1,0,1]=4 2463 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,1,1,0,0,0|1,0,1]=4 2464 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,1,1,0,0,0|1,0,1]=4 2465 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,1,1,0,0,0|1,0,1]=4 2466 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,1,1,0,0,0|1,0,1]=4 2467 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,1,0,0,0|1,0,1]=4 2468 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,1,0,0,0|1,0,1]=4 2469 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,1,1,0,0,0|1,0,1]=4 2470 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,1,0,0,0|1,0,0]=3 2471 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,1,1,0,0,0|1,0,1]=4 2472 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,1,1,0,0,0|1,0,1]=4 2473 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,1,0,0,0|1,0,1]=4 2474 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,1,1,0,0,0|1,0,1]=4 2475 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,1,1,0,0,0|1,0,1]=4 2476 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,1,1,0,0,0|0,0,2]=4 2477 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2478 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2479 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2480 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,1,0,0,0|2,0,0]=4 2481 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,1,1,0,0,0|2,0,0]=4 2482 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,1,1,0,0,0|2,0,0]=4 2483 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,1,1,0,0,0|2,0,0]=4 2484 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,1,1,0,0,0|1,0,0]=3 2485 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,1,1,0,0,0|1,0,1]=4 2486 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,1,0,0,0|1,0,0]=3 2487 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,1,1,0,0,0|2,0,0]=4 2488 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,1,1,0,0,0|2,0,0]=4 2489 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,1,1,0,0,0|2,0,0]=4 2490 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,1,1,0,0,0|2,0,0]=4 2491 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,1,1,0,0,0|2,0,0]=4 2492 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,1,1,0,0,0|2,0,0]=4 2493 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,1,1,0,0,0|2,0,0]=4 2494 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,1,1,0,0,0|2,0,0]=4 2495 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,1,1,0,0,0|2,0,0]=4 2496 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,1,1,0,0,0|1,0,1]=4 2497 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,1,1,0,0,0|2,0,0]=4 2498 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,1,1,0,0,0|2,0,0]=4 2499 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,1,1,0,0,0|2,0,0]=4 2500 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,1,1,0,0,0|2,0,0]=4 2501 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,1,1,0,0,0|2,0,0]=4 2502 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,1,1,0,0,0|2,0,0]=4 2503 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,1,1,0,0,0|2,0,0]=4 2504 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,1,1,0,0,0|2,0,0]=4 2505 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,1,1,0,0,0|2,0,0]=4 2506 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,1,1,0,0,0|2,0,0]=4 2507 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,1,1,0,0,0|2,0,0]=4 2508 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,1,1,0,0,0|2,0,0]=4 2509 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,1,1,0,0,0|2,0,0]=4 2510 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,1,0,0,0|2,0,0]=4 2511 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,1,0,0,0|2,0,0]=4 2512 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,1,0,0,0|2,0,0]=4 2513 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,1,1,0,0,0|2,0,0]=4 2514 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,1,0,0,0|2,0,0]=4 2515 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,1,0,0,0|2,0,0]=4 2516 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,1,1,0,0,0|2,0,0]=4 2517 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,1,1,0,0,0|2,0,0]=4 2518 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,1,1,0,0,0|2,0,0]=4 2519 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,1,1,0,0,0|2,0,0]=4 2520 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,1,0,0,0|2,0,0]=4 2521 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,1,0,0,0|2,0,0]=4 2522 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,1,1,0,0,0|2,0,0]=4 2523 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,1,1,0,0,0|2,0,0]=4 2524 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,1,0,0,0|2,0,0]=4 2525 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,1,0,0,0|2,0,0]=4 2526 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,1,1,0,0,0|2,0,0]=4 2527 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,1,1,0,0,0|2,0,0]=4 2528 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,1,0,0,0|2,0,0]=4 2529 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,1,1,0,0,0|2,0,0]=4 2530 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,1,1,0,0,0|2,0,0]=4 2531 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,1,1,0,0,0|2,0,0]=4 2532 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,1,1,0,0,0|2,0,0]=4 2533 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,1,1,0,0,0|2,0,0]=4 2534 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,1,1,0,0,0|2,0,0]=4 2535 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,1,1,0,0,0|2,0,0]=4 2536 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,1,1,0,0,0|2,0,0]=4 2537 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,1,1,0,0,0|2,0,0]=4 2538 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,1,1,0,0,0|2,0,0]=4 2539 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,1,1,0,0,0|2,0,0]=4 2540 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,1,0,0,0|1,0,0]=3 2541 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,1,1,0,0,0|2,0,0]=4 2542 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,1,1,0,0,0|2,0,0]=4 2543 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,1,1,0,0,0|2,0,0]=4 2544 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,1,1,0,0,0|0,0,2]=4 2545 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,1,0,0,0|1,0,0]=3 2546 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,1,1,0,0,0|2,0,0]=4 2547 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,1,0,0,0|2,0,0]=4 2548 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,1,1,0,0,0|2,0,0]=4 2549 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,1,1,0,0,0|2,0,0]=4 2550 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,1,1,0,0,0|2,0,0]=4 2551 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,1,0,0,0|0,0,2]=4 2552 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,1,0,0,0|2,0,0]=4 2553 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,1,0,0,0|2,0,0]=4 2554 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,1,0,0,0|2,0,0]=4 2555 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,1,0,0,0|2,0,0]=4 2556 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,1,0,0,0|1,0,0]=3 2557 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,1,0,0,0|1,0,0]=3 2558 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,1,0,0,0|1,0,0]=3 2559 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,1,0,0,0|0,0,0]=2 2560 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,1,0,0,0|1,0,0]=3 2561 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,1,0,0,0|1,0,0]=3 2562 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,1,0,0,0|1,0,0]=3 2563 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,1,0,0,0|1,0,0]=3 2564 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,1,0,0,0|1,0,1]=4 2565 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,1,0,0,0|1,0,1]=4 2566 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,1,0,0,0|1,0,1]=4 2567 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,1,0,0,0|1,0,1]=4 2568 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,1,0,0,0|1,0,1]=4 2569 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2570 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2571 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2572 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2573 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,1,0,0,0|1,0,0]=3 2574 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,1,0,0,0|1,0,0]=3 2575 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,1,0,0,0|2,0,0]=4 2576 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,1,0,0,0|2,0,0]=4 2577 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,1,0,0,0|2,0,0]=4 2578 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,1,0,0,0|2,0,0]=4 2579 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,1,0,0,0|2,0,0]=4 2580 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,1,0,0,0|2,0,0]=4 2581 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,1,1,0,0,0|2,0,0]=4 2582 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,1,1,0,0,0|2,0,0]=4 2583 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,1,1,0,0,0|1,0,0]=3 2584 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,1,1,0,0,0|2,0,0]=4 2585 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,1,0,0,0|2,0,0]=4 2586 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,1,0,0,0|2,0,0]=4 2587 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,1,1,0,0,0|2,0,0]=4 2588 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,1,1,0,0,0|2,0,0]=4 2589 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,1,1,0,0,0|2,0,0]=4 2590 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,1,1,0,0,0|1,0,0]=3 2591 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,1,1,0,0,0|1,0,0]=3 2592 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,1,0,0,0|2,0,0]=4 2593 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,1,0,0,0|2,0,0]=4 2594 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,1,1,0,0,0|2,0,0]=4 2595 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,1,1,0,0,0|2,0,0]=4 2596 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,1,1,0,0,0|1,0,0]=3 2597 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,1,1,0,0,0|1,0,0]=3 2598 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,1,1,0,0,0|2,0,0]=4 2599 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,1,1,0,0,0|2,0,0]=4 2600 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,1,1,0,0,0|2,0,0]=4 2601 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,1,1,0,0,0|2,0,0]=4 2602 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,1,0,0,0|1,0,0]=3 2603 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,1,0,0,0|1,0,0]=3 2604 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,1,1,0,0,0|2,0,0]=4 2605 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,1,0,0,0|2,0,0]=4 2606 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,1,0,0,0|1,0,0]=3 2607 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,1,1,0,0,0|2,0,0]=4 2608 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,1,1,0,0,0|2,0,0]=4 2609 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,1,1,0,0,0|2,0,0]=4 2610 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,1,0,0,0|1,0,0]=3 2611 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,1,0,0,0|1,0,0]=3 2612 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,1,1,0,0,0|2,0,0]=4 2613 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,1,1,0,0,0|2,0,0]=4 2614 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,1,0,0,0|1,0,0]=3 2615 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,1,0,0,0|1,0,0]=3 2616 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,1,1,0,0,0|2,0,0]=4 2617 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,1,0,0,0|2,0,0]=4 2618 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,1,0,0,0|2,0,0]=4 2619 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,1,0,0,0|2,0,0]=4 2620 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,1,1,0,0,0|2,0,0]=4 2621 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,1,0,0,0|1,0,0]=3 2622 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,1,0,0,0|2,0,0]=4 2623 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,1,0,0,0|2,0,0]=4 2624 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,1,1,0,0,0|2,0,0]=4 2625 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,1,1,0,0,0|2,0,0]=4 2626 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,1,0,0,0|2,0,0]=4 2627 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,1,0,0,0|2,0,0]=4 2628 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,1,0,0,0|1,0,0]=3 2629 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,1,0,0,0|1,0,0]=3 2630 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,1,0,0,0|2,0,0]=4 2631 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,1,0,0,0|2,0,0]=4 2632 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,1,1,0,0,0|1,0,0]=3 2633 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,1,1,0,0,0|2,0,0]=4 2634 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,1,1,0,0,0|1,0,0]=3 2635 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,1,1,0,0,0|1,0,0]=3 2636 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,1,1,0,0,0|1,0,0]=3 2637 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,1,1,0,0,0|2,0,0]=4 2638 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,1,1,0,0,0|2,0,0]=4 2639 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,1,1,0,0,0|2,0,0]=4 2640 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,1,1,0,0,0|2,0,0]=4 2641 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,1,1,0,0,0|2,0,0]=4 2642 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,1,1,0,0,0|2,0,0]=4 2643 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,1,1,0,0,0|2,0,0]=4 2644 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,1,1,0,0,0|2,0,0]=4 2645 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,1,1,0,0,0|2,0,0]=4 2646 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,1,1,0,0,0|2,0,0]=4 2647 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,1,1,0,0,0|2,0,0]=4 2648 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,1,1,0,0,0|1,0,0]=3 2649 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,1,1,0,0,0|1,0,0]=3 2650 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,1,1,0,0,0|2,0,0]=4 2651 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,1,1,0,0,0|2,0,0]=4 2652 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,1,1,0,0,0|2,0,0]=4 2653 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,1,1,0,0,0|2,0,0]=4 2654 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,1,1,0,0,0|2,0,0]=4 2655 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,1,1,0,0,0|2,0,0]=4 2656 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,1,1,0,0,0|2,0,0]=4 2657 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,1,0,0,0|2,0,0]=4 2658 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,1,1,0,0,0|2,0,0]=4 2659 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,1,1,0,0,0|2,0,0]=4 2660 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,1,1,0,0,0|2,0,0]=4 2661 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,1,1,0,0,0|2,0,0]=4 2662 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,1,1,0,0,0|1,0,0]=3 2663 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,1,1,0,0,0|1,0,0]=3 2664 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,1,1,0,0,0|1,0,0]=3 2665 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,1,1,0,0,0|2,0,0]=4 2666 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,1,1,0,0,0|1,0,0]=3 2667 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,1,1,0,0,0|1,0,0]=3 2668 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,1,1,0,0,0|1,0,0]=3 2669 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,1,1,0,0,0|1,0,0]=3 2670 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,1,1,0,0,0|1,0,0]=3 2671 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,1,1,0,0,0|1,0,0]=3 2672 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,1,1,0,0,0|2,0,0]=4 2673 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,1,1,0,0,0|2,0,0]=4 2674 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,1,1,0,0,0|2,0,0]=4 2675 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,1,1,0,0,0|2,0,0]=4 2676 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,1,1,0,0,0|2,0,0]=4 2677 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,1,1,0,0,0|2,0,0]=4 2678 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,1,1,0,0,0|2,0,0]=4 2679 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,1,1,0,0,0|2,0,0]=4 2680 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,1,1,0,0,0|2,0,0]=4 2681 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,1,1,0,0,0|2,0,0]=4 2682 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,1,1,0,0,0|2,0,0]=4 2683 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,1,1,0,0,0|2,0,0]=4 2684 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,1,1,0,0,0|2,0,0]=4 2685 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,1,1,0,0,0|2,0,0]=4 2686 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,1,1,0,0,0|2,0,0]=4 2687 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,1,1,0,0,0|2,0,0]=4 2688 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,1,1,0,0,0|2,0,0]=4 2689 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,1,1,0,0,0|2,0,0]=4 2690 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,1,1,0,0,0|2,0,0]=4 2691 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,1,1,0,0,0|2,0,0]=4 2692 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,1,1,0,0,0|2,0,0]=4 2693 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,1,1,0,0,0|2,0,0]=4 2694 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,1,1,0,0,0|2,0,0]=4 2695 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,1,1,0,0,0|2,0,0]=4 2696 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,1,1,0,0,0|2,0,0]=4 2697 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,1,1,0,0,0|2,0,0]=4 2698 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,1,1,0,0,0|2,0,0]=4 2699 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,1,1,0,0,0|2,0,0]=4 2700 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,1,1,0,0,0|2,0,0]=4 2701 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,1,1,0,0,0|2,0,0]=4 2702 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,1,0,0,0|2,0,0]=4 2703 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,1,0,0,0|2,0,0]=4 2704 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,1,1,0,0,0|2,0,0]=4 2705 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,1,1,0,0,0|2,0,0]=4 2706 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,1,1,0,0,0|2,0,0]=4 2707 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,1,1,0,0,0|2,0,0]=4 2708 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,1,1,0,0,0|2,0,0]=4 2709 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,1,1,0,0,0|2,0,0]=4 2710 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,1,1,0,0,0|2,0,0]=4 2711 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,1,1,0,0,0|2,0,0]=4 2712 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,1,1,0,0,0|2,0,0]=4 2713 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,1,1,0,0,0|2,0,0]=4 2714 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,1,1,0,0,0|2,0,0]=4 2715 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,1,1,0,0,0|2,0,0]=4 2716 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,1,0,0,0|2,0,0]=4 2717 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,1,0,0,0|2,0,0]=4 2718 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,1,1,0,0,0|2,0,0]=4 2719 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,1,1,0,0,0|1,0,0]=3 2720 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,1,1,0,0,0|1,0,0]=3 2721 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,1,1,0,0,0|1,0,0]=3 2722 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,1,1,0,0,0|2,0,0]=4 2723 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,1,1,0,0,0|2,0,0]=4 2724 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,1,1,0,0,0|2,0,0]=4 2725 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,1,1,0,0,0|2,0,0]=4 2726 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,1,1,0,0,0|2,0,0]=4 2727 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,1,1,0,0,0|2,0,0]=4 2728 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,1,1,0,0,0|2,0,0]=4 2729 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,1,1,0,0,0|2,0,0]=4 2730 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,1,1,0,0,0|2,0,0]=4 2731 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,1,1,0,0,0|2,0,0]=4 2732 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,1,1,0,0,0|2,0,0]=4 2733 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,1,1,0,0,0|1,0,1]=4 2734 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,1,0,0,0|2,0,0]=4 2735 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,1,0,0,0|1,0,0]=3 2736 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,1,0,0,0|1,0,0]=3 2737 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,1,0,0,0|2,0,0]=4 2738 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,1,1,0,0,0|2,0,0]=4 2739 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,1,0,0,0|2,0,0]=4 2740 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,1,0,0,0|1,0,0]=3 2741 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,1,0,0,0|1,0,0]=3 2742 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,1,0,0,0|1,0,0]=3 2743 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2744 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2745 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2746 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,1,0,0,0|2,0,0]=4 2747 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,1,0,0,0|2,0,0]=4 2748 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,1,1,0,0,0|2,0,0]=4 2749 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,1,1,0,0,0|2,0,0]=4 2750 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,1,0,0,0|1,0,0]=3 2751 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,1,1,0,0,0|2,0,0]=4 2752 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,1,1,0,0,0|2,0,0]=4 2753 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,1,0,0,0|2,0,0]=4 2754 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,1,0,0,0|2,0,0]=4 2755 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,1,1,0,0,0|2,0,0]=4 2756 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,1,1,0,0,0|2,0,0]=4 2757 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,1,1,0,0,0|2,0,0]=4 2758 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,1,1,0,0,0|2,0,0]=4 2759 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,1,1,0,0,0|1,0,1]=4 2760 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,1,1,0,0,0|1,0,1]=4 2761 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,1,1,0,0,0|2,0,0]=4 2762 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,1,1,0,0,0|2,0,0]=4 2763 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,1,0,0,0|2,0,0]=4 2764 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,1,0,0,0|2,0,0]=4 2765 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,1,1,0,0,0|2,0,0]=4 2766 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,1,1,0,0,0|2,0,0]=4 2767 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,1,1,0,0,0|2,0,0]=4 2768 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,1,1,0,0,0|2,0,0]=4 2769 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,1,1,0,0,0|1,0,1]=4 2770 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,1,1,0,0,0|1,0,1]=4 2771 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,1,0,0,0|1,0,0]=3 2772 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,1,0,0,0|1,0,0]=3 2773 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,1,0,0,0|2,0,0]=4 2774 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,1,0,0,0|2,0,0]=4 2775 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,1,1,0,0,0|2,0,0]=4 2776 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,1,1,0,0,0|2,0,0]=4 2777 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,1,1,0,0,0|2,0,0]=4 2778 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,1,1,0,0,0|2,0,0]=4 2779 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,1,1,0,0,0|2,0,0]=4 2780 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,1,0,0,0|2,0,0]=4 2781 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,1,1,0,0,0|2,0,0]=4 2782 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,1,1,0,0,0|2,0,0]=4 2783 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,1,1,0,0,0|2,0,0]=4 2784 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,1,1,0,0,0|2,0,0]=4 2785 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,1,0,0,0|2,0,0]=4 2786 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,1,0,0,0|2,0,0]=4 2787 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,1,1,0,0,0|2,0,0]=4 2788 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,1,0,0,0|2,0,0]=4 2789 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,1,1,0,0,0|1,0,1]=4 2790 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,1,0,0,0|1,0,0]=3 2791 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,1,0,0,0|1,0,0]=3 2792 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,1,1,0,0,0|2,0,0]=4 2793 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,1,1,0,0,0|2,0,0]=4 2794 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,1,1,0,0,0|1,0,0]=3 2795 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,1,1,0,0,0|2,0,0]=4 2796 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,1,1,0,0,0|2,0,0]=4 2797 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,1,1,0,0,0|2,0,0]=4 2798 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,1,1,0,0,0|1,0,1]=4 2799 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,1,1,0,0,0|2,0,0]=4 2800 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,1,1,0,0,0|2,0,0]=4 2801 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,1,1,0,0,0|1,0,1]=4 2802 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,1,1,0,0,0|1,0,1]=4 2803 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,1,1,0,0,0|2,0,0]=4 2804 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,1,1,0,0,0|2,0,0]=4 2805 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,1,1,0,0,0|2,0,0]=4 2806 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,1,1,0,0,0|2,0,0]=4 2807 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,1,1,0,0,0|1,0,1]=4 2808 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,1,0,0,0|1,0,0]=3 2809 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,1,0,0,0|1,0,0]=3 2810 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,1,1,0,0,0|2,0,0]=4 2811 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,1,1,0,0,0|2,0,0]=4 2812 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,1,1,0,0,0|2,0,0]=4 2813 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,1,1,0,0,0|2,0,0]=4 2814 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,1,1,0,0,0|1,0,1]=4 2815 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,1,1,0,0,0|2,0,0]=4 2816 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,1,1,0,0,0|2,0,0]=4 2817 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,1,1,0,0,0|2,0,0]=4 2818 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,1,1,0,0,0|2,0,0]=4 2819 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,1,1,0,0,0|2,0,0]=4 2820 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,1,1,0,0,0|2,0,0]=4 2821 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,1,1,0,0,0|2,0,0]=4 2822 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,1,1,0,0,0|2,0,0]=4 2823 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,1,1,0,0,0|2,0,0]=4 2824 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,1,1,0,0,0|2,0,0]=4 2825 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,1,1,0,0,0|2,0,0]=4 2826 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,1,1,0,0,0|2,0,0]=4 2827 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,1,1,0,0,0|2,0,0]=4 2828 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,1,1,0,0,0|2,0,0]=4 2829 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,1,1,0,0,0|2,0,0]=4 2830 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,1,1,0,0,0|2,0,0]=4 2831 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,1,1,0,0,0|2,0,0]=4 2832 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,1,1,0,0,0|2,0,0]=4 2833 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,1,1,0,0,0|2,0,0]=4 2834 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,1,1,0,0,0|2,0,0]=4 2835 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,1,1,0,0,0|2,0,0]=4 2836 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,1,1,0,0,0|2,0,0]=4 2837 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,1,1,0,0,0|2,0,0]=4 2838 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,1,1,0,0,0|2,0,0]=4 2839 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,1,1,0,0,0|2,0,0]=4 2840 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,1,1,0,0,0|2,0,0]=4 2841 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,1,1,0,0,0|2,0,0]=4 2842 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,1,1,0,0,0|2,0,0]=4 2843 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,1,1,0,0,0|2,0,0]=4 2844 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,1,1,0,0,0|2,0,0]=4 2845 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,1,1,0,0,0|2,0,0]=4 2846 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,1,1,0,0,0|2,0,0]=4 2847 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,1,0,0,0|1,0,0]=3 2848 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,1,1,0,0,0|2,0,0]=4 2849 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,1,1,0,0,0|2,0,0]=4 2850 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,1,1,0,0,0|2,0,0]=4 2851 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,1,1,0,0,0|1,0,0]=3 2852 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,1,1,0,0,0|1,0,1]=4 2853 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,1,1,0,0,0|2,0,0]=4 2854 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,1,1,0,0,0|2,0,0]=4 2855 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,1,1,0,0,0|1,0,1]=4 2856 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,1,1,0,0,0|2,0,0]=4 2857 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,1,1,0,0,0|2,0,0]=4 2858 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,1,1,0,0,0|1,0,1]=4 2859 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,1,1,0,0,0|1,0,1]=4 2860 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,1,1,0,0,0|2,0,0]=4 2861 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,1,1,0,0,0|2,0,0]=4 2862 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,1,1,0,0,0|2,0,0]=4 2863 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,1,1,0,0,0|2,0,0]=4 2864 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,1,1,0,0,0|2,0,0]=4 2865 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,1,1,0,0,0|2,0,0]=4 2866 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,1,1,0,0,0|2,0,0]=4 2867 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,1,1,0,0,0|2,0,0]=4 2868 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,1,1,0,0,0|2,0,0]=4 2869 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,1,1,0,0,0|2,0,0]=4 2870 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,1,1,0,0,0|2,0,0]=4 2871 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,1,1,0,0,0|2,0,0]=4 2872 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,1,1,0,0,0|2,0,0]=4 2873 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,1,1,0,0,0|2,0,0]=4 2874 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,1,1,0,0,0|2,0,0]=4 2875 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,1,1,0,0,0|2,0,0]=4 2876 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,1,1,0,0,0|2,0,0]=4 2877 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,1,1,0,0,0|2,0,0]=4 2878 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,1,1,0,0,0|2,0,0]=4 2879 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,1,1,0,0,0|2,0,0]=4 2880 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,1,1,0,0,0|2,0,0]=4 2881 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,1,1,0,0,0|1,0,0]=3 2882 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,1,1,0,0,0|2,0,0]=4 2883 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,1,1,0,0,0|2,0,0]=4 2884 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,1,1,0,0,0|1,0,1]=4 2885 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,1,1,0,0,0|1,0,1]=4 2886 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,1,1,0,0,0|2,0,0]=4 2887 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,1,1,0,0,0|2,0,0]=4 2888 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,1,1,0,0,0|2,0,0]=4 2889 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,1,1,0,0,0|2,0,0]=4 2890 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,1,1,0,0,0|2,0,0]=4 2891 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,1,1,0,0,0|2,0,0]=4 2892 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,1,1,0,0,0|2,0,0]=4 2893 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,1,1,0,0,0|2,0,0]=4 2894 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,1,1,0,0,0|2,0,0]=4 2895 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,1,1,0,0,0|2,0,0]=4 2896 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,1,1,0,0,0|2,0,0]=4 2897 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,1,1,0,0,0|2,0,0]=4 2898 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,1,1,0,0,0|2,0,0]=4 2899 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,1,1,0,0,0|2,0,0]=4 2900 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,1,1,0,0,0|2,0,0]=4 2901 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,1,1,0,0,0|2,0,0]=4 2902 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,1,1,0,0,0|2,0,0]=4 2903 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,1,1,0,0,0|2,0,0]=4 2904 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,1,1,0,0,0|2,0,0]=4 2905 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,1,1,0,0,0|0,0,2]=4 2906 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,1,1,0,0,0|0,0,2]=4 2907 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,1,1,0,0,0|1,0,1]=4 2908 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,1,1,0,0,0|1,0,1]=4 2909 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,1,1,0,0,0|1,0,1]=4 2910 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,1,1,0,0,0|1,0,1]=4 2911 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,1,1,0,0,0|1,0,1]=4 2912 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,1,1,0,0,0|1,0,1]=4 2913 B10R0.1 C#CCNCOC(=O)CCC 34a_100000212058_100000034017 [0,1,1,0,0,0|0,0,2]=4 2914 B10R0.1 C#CCOCOC(=O)CCC 34a_100000210247_100000034017 [0,1,1,0,0,0|0,0,2]=4 2915 B10R0.1 C#CCSCOC(=O)CCC 62a_100000038162_100000034017 [0,1,1,0,0,0|0,0,2]=4 2916 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,1,1,0,0,0|0,0,2]=4 2917 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,1,1,0,0,0|0,0,2]=4 2918 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,1,0,0,0|1,0,1]=4 2919 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,1,0,0,0|1,0,1]=4 2920 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,1,1,0,0,0|1,0,1]=4 2921 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,1,1,0,0,0|1,0,1]=4 2922 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,1,1,0,0,0|1,0,1]=4 2923 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,1,1,0,0,0|1,0,1]=4 2924 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,1,1,0,0,0|2,0,0]=4 2925 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,1,1,0,0,0|2,0,0]=4 2926 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,1,1,0,0,0|2,0,0]=4 2927 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,1,1,0,0,0|2,0,0]=4 2928 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,1,1,0,0,0|2,0,0]=4 2929 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,1,1,0,0,0|2,0,0]=4 2930 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,1,1,0,0,0|2,0,0]=4 2931 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,1,1,0,0,0|2,0,0]=4 2932 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,1,1,0,0,0|2,0,0]=4 2933 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,1,1,0,0,0|2,0,0]=4 2934 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,1,1,0,0,0|2,0,0]=4 2935 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,1,1,0,0,0|2,0,0]=4 2936 B10R0.1 C=CCCNCC(O)COC 2230a_100000756049_100000754431 [0,1,1,0,0,0|2,0,0]=4 2937 B10R0.1 C=CCCNCC(O)COC 34a_100000756049_100000754431 [0,1,1,0,0,0|2,0,0]=4 2938 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,1,1,0,0,0|2,0,0]=4 2939 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,1,1,0,0,0|2,0,0]=4 2940 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,1,1,0,0,0|2,0,0]=4 2941 B10R0.1 C=CCCOCC(O)COC 34a_100011205117_100011215053 [0,1,1,0,0,0|2,0,0]=4 2942 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,1,1,0,0,0|2,0,0]=4 2943 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,1,1,0,0,0|2,0,0]=4 2944 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,1,1,0,0,0|2,0,0]=4 2945 B10R0.1 C=CCCSCC(O)COC 62a_100000754431_100011215053 [0,1,1,0,0,0|2,0,0]=4 2946 B10R0.1 C=CCCSCC(O)COC 62a_100011215053_100000754431 [0,1,1,0,0,0|2,0,0]=4 2947 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [0,1,1,0,0,0|0,0,2]=4 2948 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [0,1,1,0,0,0|2,0,0]=4 2949 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [0,1,1,0,0,0|2,0,0]=4 2950 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [0,1,1,0,0,0|2,0,0]=4 2951 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [0,1,1,0,0,0|0,0,2]=4 2952 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [0,1,1,0,0,0|0,0,2]=4 2953 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,1,1,0,0,0|0,0,2]=4 2954 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [0,1,1,0,0,0|2,0,0]=4 2955 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [0,1,1,0,0,0|2,0,0]=4 2956 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,1,1,0,0,0|1,0,1]=4 2957 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,1,1,0,0,0|0,0,2]=4 2958 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,1,1,0,0,0|1,0,1]=4 2959 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,1,1,0,0,0|1,0,1]=4 2960 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,1,0,0,0|1,0,0]=3 2961 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,1,0,0,0|1,0,0]=3 2962 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,1,0,0,0|1,0,0]=3 2963 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,1,0,0,0|1,0,0]=3 2964 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,1,0,0,0|1,0,0]=3 2965 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,1,0,0,0|2,0,0]=4 2966 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,1,0,0,0|2,0,0]=4 2967 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,1,1,0,0,0|2,0,0]=4 2968 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,1,1,0,0,0|2,0,0]=4 2969 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,1,1,0,0,0|2,0,0]=4 2970 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,1,1,0,0,0|1,0,0]=3 2971 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,1,1,0,0,0|1,0,0]=3 2972 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,1,1,0,0,0|1,1,0]=4 2973 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,1,1,0,0,0|1,1,0]=4 2974 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,1,0,0,0|1,1,0]=4 2975 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,1,0,0,0|1,1,0]=4 2976 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,1,1,0,0,0|1,1,0]=4 2977 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,1,1,0,0,0|1,1,0]=4 2978 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,1,1,0,0,0|1,1,0]=4 2979 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,1,1,0,0,0|1,1,0]=4 2980 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,1,1,0,0,0|1,1,0]=4 2981 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,1,1,0,0,0|1,1,0]=4 2982 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,1,0,0,0|1,0,0]=3 2983 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,1,0,0,0|1,0,0]=3 2984 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,1,1,0,0,0|1,0,0]=3 2985 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,1,1,0,0,0|1,0,0]=3 2986 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,1,1,0,0,0|1,0,0]=3 2987 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,1,1,0,0,0|1,0,0]=3 2988 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,1,1,0,0,0|1,0,0]=3 2989 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,1,1,0,0,0|1,0,0]=3 2990 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,1,1,0,0,0|1,0,0]=3 2991 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,1,1,0,0,0|1,0,0]=3 2992 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,1,1,0,0,0|1,0,0]=3 2993 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,1,1,0,0,0|1,0,0]=3 2994 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,1,1,0,0,0|1,0,0]=3 2995 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,1,1,0,0,0|1,0,0]=3 2996 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,1,1,0,0,0|1,0,0]=3 2997 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,1,1,0,0,0|1,0,0]=3 2998 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,1,1,0,0,0|1,0,0]=3 2999 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,1,1,0,0,0|2,0,0]=4 3000 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,1,1,0,0,0|1,0,0]=3 3001 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,1,1,0,0,0|1,0,0]=3 3002 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,1,1,0,0,0|1,0,0]=3 3003 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,1,1,0,0,0|1,0,0]=3 3004 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,1,1,0,0,0|1,0,0]=3 3005 B10R0.1 CCCC(=O)OCSCC#N 62a_100011215382_100000034017 [0,1,1,0,0,0|1,0,1]=4 3006 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,1,1,0,0,0|1,0,1]=4 3007 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,1,1,0,0,0|1,0,0]=3 3008 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,1,1,0,0,0|1,0,0]=3 3009 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,1,1,0,0,0|1,0,0]=3 3010 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,1,1,0,0,0|1,0,0]=3 3011 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [0,1,1,0,0,0|1,0,0]=3 3012 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [0,1,1,0,0,0|1,0,0]=3 3013 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,1,1,0,0,0|1,0,0]=3 3014 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,1,1,0,0,0|1,0,0]=3 3015 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,1,1,0,0,0|1,0,1]=4 3016 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,1,1,0,0,0|1,0,1]=4 3017 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,1,1,0,0,0|1,0,1]=4 3018 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,1,1,0,0,0|1,0,1]=4 3019 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,1,1,0,0,0|1,0,1]=4 3020 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,1,1,0,0,0|1,0,1]=4 3021 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,1,1,0,0,0|1,0,1]=4 3022 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,1,1,0,0,0|1,0,1]=4 3023 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,1,1,0,0,0|1,0,1]=4 3024 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,1,1,0,0,0|1,0,1]=4 3025 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,1,1,0,0,0|1,0,1]=4 3026 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,1,1,0,0,0|1,0,1]=4 3027 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,1,1,0,0,0|1,0,1]=4 3028 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,1,1,0,0,0|1,0,1]=4 3029 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,1,1,0,0,0|1,0,1]=4 3030 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,1,1,0,0,0|1,0,1]=4 3031 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,1,1,0,0,0|1,0,1]=4 3032 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,1,1,0,0,0|1,0,1]=4 3033 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,1,1,0,0,0|1,0,1]=4 3034 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,1,1,0,0,0|1,0,1]=4 3035 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,1,1,0,0,0|1,0,1]=4 3036 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,1,1,0,0,0|1,0,1]=4 3037 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,1,1,0,0,0|1,0,1]=4 3038 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,1,1,0,0,0|1,0,1]=4 3039 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,1,1,0,0,0|1,0,1]=4 3040 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,1,1,0,0,0|1,0,0]=3 3041 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,1,1,0,0,0|1,0,0]=3 3042 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,1,1,0,0,0|1,0,1]=4 3043 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,1,1,0,0,0|1,0,0]=3 3044 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,1,1,0,0,0|2,0,0]=4 3045 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,1,1,0,0,0|2,0,0]=4 3046 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,1,1,0,0,0|2,0,0]=4 3047 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,1,1,0,0,0|2,0,0]=4 3048 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,1,0,0,0|1,0,0]=3 3049 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,1,0,0,0|1,0,0]=3 3050 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,1,0,0,0|2,0,0]=4 3051 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,1,0,0,0|2,0,0]=4 3052 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,1,0,0,0|2,0,0]=4 3053 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,1,0,0,0|2,0,0]=4 3054 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,1,0,0,0|2,0,0]=4 3055 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,1,0,0,0|2,0,0]=4 3056 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,1,0,0,0|2,0,0]=4 3057 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,1,0,0,0|2,0,0]=4 3058 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,1,0,0,0|1,0,0]=3 3059 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,1,0,0,0|1,0,0]=3 3060 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,1,0,0,0|1,0,0]=3 3061 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,1,0,0,0|1,0,0]=3 3062 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,1,1,0,0,0|2,0,0]=4 3063 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,1,1,0,0,0|2,0,0]=4 3064 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,1,1,0,0,0|2,0,0]=4 3065 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,1,1,0,0,0|2,0,0]=4 3066 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,1,1,0,0,0|2,0,0]=4 3067 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,1,1,0,0,0|2,0,0]=4 3068 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,1,1,0,0,0|2,0,0]=4 3069 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,1,1,0,0,0|2,0,0]=4 3070 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,1,1,0,0,0|2,0,0]=4 3071 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,1,1,0,0,0|2,0,0]=4 3072 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,1,1,0,0,0|2,0,0]=4 3073 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,1,1,0,0,0|2,0,0]=4 3074 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,1,1,0,0,0|2,0,0]=4 3075 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,1,1,0,0,0|2,0,0]=4 3076 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,1,1,0,0,0|2,0,0]=4 3077 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,1,1,0,0,0|2,0,0]=4 3078 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,1,1,0,0,0|2,0,0]=4 3079 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,1,0,0,0|2,0,0]=4 3080 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,1,0,0,0|2,0,0]=4 3081 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,1,0,0,0|2,0,0]=4 3082 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,1,0,0,0|2,0,0]=4 3083 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,1,0,0,0|2,0,0]=4 3084 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,1,0,0,0|2,0,0]=4 3085 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,1,0,0,0|1,0,1]=4 3086 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,1,0,0,0|1,0,1]=4 3087 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,1,0,0,0|1,0,1]=4 3088 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,1,0,0,0|1,0,1]=4 3089 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,1,0,0,0|1,0,0]=3 3090 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,1,0,0,0|1,0,0]=3 3091 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,1,1,0,0,0|2,0,0]=4 3092 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,1,1,0,0,0|2,0,0]=4 3093 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,1,1,0,0,0|2,0,0]=4 3094 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,1,1,0,0,0|2,0,0]=4 3095 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,1,1,0,0,0|2,0,0]=4 3096 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,1,1,0,0,0|2,0,0]=4 3097 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,1,1,0,0,0|1,0,0]=3 3098 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,1,1,0,0,0|2,0,0]=4 3099 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,1,1,0,0,0|2,0,0]=4 3100 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,1,1,0,0,0|2,0,0]=4 3101 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,1,1,0,0,0|2,0,0]=4 3102 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,1,1,0,0,0|2,0,0]=4 3103 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,1,1,0,0,0|2,0,0]=4 3104 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,1,1,0,0,0|1,0,1]=4 3105 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,1,1,0,0,0|1,0,1]=4 3106 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,1,0,0,0|0,0,0]=2 3107 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,1,0,0,0|0,0,0]=2 3108 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,1,0,0,0|0,0,0]=2 3109 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,1,1,0,0,0|1,0,0]=3 3110 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,1,1,0,0,0|1,0,0]=3 3111 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,1,1,0,0,0|1,0,0]=3 3112 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,1,1,0,0,0|1,0,0]=3 3113 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,1,1,0,0,0|1,0,0]=3 3114 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,1,1,0,0,0|1,0,0]=3 3115 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,1,1,0,0,0|1,0,0]=3 3116 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,1,1,0,0,0|1,0,0]=3 3117 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,1,1,0,0,0|1,0,0]=3 3118 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,1,1,0,0,0|1,0,0]=3 3119 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,1,1,0,0,0|2,0,0]=4 3120 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,1,1,0,0,0|2,0,0]=4 3121 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,1,1,0,0,0|2,0,0]=4 3122 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,1,1,0,0,0|1,0,0]=3 3123 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,1,1,0,0,0|1,0,0]=3 3124 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,1,1,0,0,0|1,0,1]=4 3125 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,1,1,0,0,0|1,0,1]=4 3126 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,1,1,0,0,0|1,0,1]=4 3127 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,1,1,0,0,0|1,0,1]=4 3128 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,1,1,0,0,0|2,0,0]=4 3129 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,1,1,0,0,0|2,0,0]=4 3130 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,1,1,0,0,0|1,0,1]=4 3131 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,1,0,0,0|0,1,0]=3 3132 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,1,0,0,0|0,1,0]=3 3133 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,1,0,0,0|0,1,0]=3 3134 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,1,1,0,0,0|1,1,0]=4 3135 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,1,1,0,0,0|1,1,0]=4 3136 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,1,1,0,0,0|1,1,0]=4 3137 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,1,1,0,0,0|1,1,0]=4 3138 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,1,1,0,0,0|1,1,0]=4 3139 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,1,1,0,0,0|1,1,0]=4 3140 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,1,1,0,0,0|1,1,0]=4 3141 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,1,1,0,0,0|1,1,0]=4 3142 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,1,1,0,0,0|1,1,0]=4 3143 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [0,1,1,0,0,0|2,0,0]=4 3144 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [0,1,1,0,0,0|2,0,0]=4 3145 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,1,1,0,0,0|2,0,0]=4 3146 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,1,0,0,0|1,0,0]=3 3147 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,1,0,0,0|2,0,0]=4 3148 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,1,1,0,0,0|2,0,0]=4 3149 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,1,1,0,0,0|2,0,0]=4 3150 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,1,1,0,0,0|2,0,0]=4 3151 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,1,1,0,0,0|0,0,0]=2 3152 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,1,1,0,0,0|2,0,0]=4 3153 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,1,1,0,0,0|2,0,0]=4 3154 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,1,1,0,0,0|2,0,0]=4 3155 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,1,1,0,0,0|2,0,0]=4 3156 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,1,1,0,0,0|0,0,0]=2 3157 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,1,1,0,0,0|1,0,0]=3 3158 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [0,1,1,0,0,0|1,0,0]=3 3159 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,1,0,0,0|2,0,0]=4 3160 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,1,1,0,0,0|2,0,0]=4 3161 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,1,1,0,0,0|2,0,0]=4 3162 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,1,1,0,0,0|2,0,0]=4 3163 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,1,1,0,0,0|2,0,0]=4 3164 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,1,1,0,0,0|2,0,0]=4 3165 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,1,1,0,0,0|2,0,0]=4 3166 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,1,1,0,0,0|2,0,0]=4 3167 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,1,1,0,0,0|2,0,0]=4 3168 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,1,1,0,0,0|2,0,0]=4 3169 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,1,1,0,0,0|2,0,0]=4 3170 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,1,1,0,0,0|2,0,0]=4 3171 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,1,1,0,0,0|2,0,0]=4 3172 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,1,1,0,0,0|2,0,0]=4 3173 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,1,1,0,0,0|2,0,0]=4 3174 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,1,1,0,0,0|2,0,0]=4 3175 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,1,1,0,0,0|2,0,0]=4 3176 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,1,1,0,0,0|2,0,0]=4 3177 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,1,1,0,0,0|2,0,0]=4 3178 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,1,1,0,0,0|2,0,0]=4 3179 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,1,1,0,0,0|2,0,0]=4 3180 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,1,1,0,0,0|2,0,0]=4 3181 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,1,1,0,0,0|2,0,0]=4 3182 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,1,1,0,0,0|2,0,0]=4 3183 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,1,1,0,0,0|2,0,0]=4 3184 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,1,1,0,0,0|2,0,0]=4 3185 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,1,1,0,0,0|2,0,0]=4 3186 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,1,1,0,0,0|2,0,0]=4 3187 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,1,1,0,0,0|2,0,0]=4 3188 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,1,1,0,0,0|2,0,0]=4 3189 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,1,1,0,0,0|2,0,0]=4 3190 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,1,1,0,0,0|2,0,0]=4 3191 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,1,1,0,0,0|2,0,0]=4 3192 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,1,1,0,0,0|2,0,0]=4 3193 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,1,1,0,0,0|2,0,0]=4 3194 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,1,1,0,0,0|2,0,0]=4 3195 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,1,1,0,0,0|2,0,0]=4 3196 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,1,1,0,0,0|2,0,0]=4 3197 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,1,1,0,0,0|2,0,0]=4 3198 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,1,1,0,0,0|2,0,0]=4 3199 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,1,1,0,0,0|2,0,0]=4 3200 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,1,1,0,0,0|2,0,0]=4 3201 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,1,1,0,0,0|2,0,0]=4 3202 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,1,1,0,0,0|2,0,0]=4 3203 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,1,1,0,0,0|2,0,0]=4 3204 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,1,1,0,0,0|2,0,0]=4 3205 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,1,1,0,0,0|2,0,0]=4 3206 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,1,1,0,0,0|2,0,0]=4 3207 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,1,1,0,0,0|2,0,0]=4 3208 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,1,1,0,0,0|2,0,0]=4 3209 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,1,1,0,0,0|2,0,0]=4 3210 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,1,1,0,0,0|2,0,0]=4 3211 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,1,1,0,0,0|2,0,0]=4 3212 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,1,1,0,0,0|2,0,0]=4 3213 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,1,1,0,0,0|2,0,0]=4 3214 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,1,1,0,0,0|2,0,0]=4 3215 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,1,1,0,0,0|2,0,0]=4 3216 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,1,1,0,0,0|2,0,0]=4 3217 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,1,1,0,0,0|2,0,0]=4 3218 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,1,1,0,0,0|2,0,0]=4 3219 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,1,1,0,0,0|2,0,0]=4 3220 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,1,1,0,0,0|2,0,0]=4 3221 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,1,1,0,0,0|2,0,0]=4 3222 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,1,1,0,0,0|2,0,0]=4 3223 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,1,1,0,0,0|2,0,0]=4 3224 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,1,1,0,0,0|2,0,0]=4 3225 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,1,1,0,0,0|2,0,0]=4 3226 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,1,1,0,0,0|2,0,0]=4 3227 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,1,1,0,0,0|2,0,0]=4 3228 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,1,1,0,0,0|2,0,0]=4 3229 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,1,1,0,0,0|2,0,0]=4 3230 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,1,1,0,0,0|2,0,0]=4 3231 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,1,1,0,0,0|2,0,0]=4 3232 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,1,1,0,0,0|2,0,0]=4 3233 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,1,1,0,0,0|2,0,0]=4 3234 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,1,1,0,0,0|2,0,0]=4 3235 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,1,1,0,0,0|2,0,0]=4 3236 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,1,1,0,0,0|2,0,0]=4 3237 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,1,1,0,0,0|2,0,0]=4 3238 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,1,1,0,0,0|2,0,0]=4 3239 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,1,1,0,0,0|2,0,0]=4 3240 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,1,1,0,0,0|2,0,0]=4 3241 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,1,1,0,0,0|2,0,0]=4 3242 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,1,1,0,0,0|2,0,0]=4 3243 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,1,1,0,0,0|2,0,0]=4 3244 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,1,1,0,0,0|2,0,0]=4 3245 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,1,1,0,0,0|1,0,0]=3 3246 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,1,1,0,0,0|1,0,0]=3 3247 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,1,1,0,0,0|1,0,0]=3 3248 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,1,1,0,0,0|1,0,0]=3 3249 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,1,1,0,0,0|1,0,0]=3 3250 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,1,1,0,0,0|1,0,0]=3 3251 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,1,1,0,0,0|1,0,0]=3 3252 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,1,1,0,0,0|1,0,0]=3 3253 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,1,1,0,0,0|2,0,0]=4 3254 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,1,1,0,0,0|2,0,0]=4 3255 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,1,1,0,0,0|2,0,0]=4 3256 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,1,1,0,0,0|2,0,0]=4 3257 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,1,1,0,0,0|2,0,0]=4 3258 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,1,1,0,0,0|2,0,0]=4 3259 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,1,1,0,0,0|2,0,0]=4 3260 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,1,1,0,0,0|2,0,0]=4 3261 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,1,1,0,0,0|2,0,0]=4 3262 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,1,1,0,0,0|2,0,0]=4 3263 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,1,1,0,0,0|2,0,0]=4 3264 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,1,1,0,0,0|2,0,0]=4 3265 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,1,1,0,0,0|2,0,0]=4 3266 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,1,1,0,0,0|2,0,0]=4 3267 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,1,1,0,0,0|2,0,0]=4 3268 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,1,1,0,0,0|2,0,0]=4 3269 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,1,1,0,0,0|2,0,0]=4 3270 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,1,1,0,0,0|2,0,0]=4 3271 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,1,1,0,0,0|2,0,0]=4 3272 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,1,1,0,0,0|2,0,0]=4 3273 B10R0.1 COCC(C)SCCCC=O 62a_100000765312_200011292268 [0,1,1,0,0,0|2,0,0]=4 3274 B10R0.1 COCC(C)SCCCC=O 62a_200011292268_100000765312 [0,1,1,0,0,0|2,0,0]=4 3275 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,1,1,0,0,0|2,0,0]=4 3276 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,1,1,0,0,0|2,0,0]=4 3277 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,1,1,0,0,0|2,0,0]=4 3278 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,1,1,0,0,0|2,0,0]=4 3279 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,1,1,0,0,0|2,0,0]=4 3280 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,1,1,0,0,0|2,0,0]=4 3281 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,1,1,0,0,0|2,0,0]=4 3282 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,1,1,0,0,0|2,0,0]=4 3283 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,1,1,0,0,0|2,0,0]=4 3284 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,1,1,0,0,0|2,0,0]=4 3285 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,1,1,0,0,0|2,0,0]=4 3286 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,1,1,0,0,0|2,0,0]=4 3287 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,1,1,0,0,0|2,0,0]=4 3288 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,1,1,0,0,0|2,0,0]=4 3289 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,1,1,0,0,0|2,0,0]=4 3290 B10R0.1 COC[C@@H](C)NCCCC=O 2230a_100000764878_200011292268 [0,1,1,0,0,0|2,0,0]=4 3291 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,1,1,0,0,0|2,0,0]=4 3292 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,1,1,0,0,0|2,0,0]=4 3293 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,1,1,0,0,0|2,0,0]=4 3294 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,1,1,0,0,0|2,0,0]=4 3295 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,1,1,0,0,0|2,0,0]=4 3296 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,1,1,0,0,0|2,0,0]=4 3297 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,1,1,0,0,0|2,0,0]=4 3298 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,1,1,0,0,0|2,0,0]=4 3299 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,1,1,0,0,0|2,0,0]=4 3300 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [0,1,1,0,0,0|2,0,0]=4 3301 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,1,1,0,0,0|2,0,0]=4 3302 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,1,0,0,0|2,0,0]=4 3303 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,1,0,0,0|2,0,0]=4 3304 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,1,0,0,0|2,0,0]=4 3305 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,1,1,0,0,0|2,0,0]=4 3306 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,1,1,0,0,0|1,0,1]=4 3307 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,1,1,0,0,0|1,0,1]=4 3308 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,1,1,0,0,0|1,0,1]=4 3309 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,1,1,0,0,0|1,0,0]=3 3310 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,1,1,0,0,0|1,0,0]=3 3311 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,1,1,0,0,0|2,0,0]=4 3312 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,1,1,0,0,0|2,0,0]=4 3313 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,1,1,0,0,0|2,0,0]=4 3314 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,1,1,0,0,0|2,0,0]=4 3315 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,1,1,0,0,0|1,0,0]=3 3316 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,1,1,0,0,0|1,0,0]=3 3317 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,1,1,0,0,0|1,0,0]=3 3318 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,1,1,0,0,0|1,0,0]=3 3319 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,1,1,0,0,0|2,0,0]=4 3320 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,1,1,0,0,0|2,0,0]=4 3321 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,1,1,0,0,0|2,0,0]=4 3322 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,1,1,0,0,0|2,0,0]=4 3323 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,1,1,0,0,0|2,0,0]=4 3324 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,1,1,0,0,0|2,0,0]=4 3325 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,1,1,0,0,0|2,0,0]=4 3326 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,1,1,0,0,0|2,0,0]=4 3327 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,1,1,0,0,0|2,0,0]=4 3328 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,1,1,0,0,0|2,0,0]=4 3329 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,1,1,0,0,0|2,0,0]=4 3330 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,1,1,0,0,0|2,0,0]=4 3331 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,1,1,0,0,0|2,0,0]=4 3332 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,1,1,0,0,0|2,0,0]=4 3333 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,1,1,0,0,0|2,0,0]=4 3334 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,1,1,0,0,0|2,0,0]=4 3335 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,1,1,0,0,0|2,0,0]=4 3336 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,1,1,0,0,0|2,0,0]=4 3337 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,1,1,0,0,0|2,0,0]=4 3338 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,1,1,0,0,0|2,0,0]=4 3339 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,1,1,0,0,0|2,0,0]=4 3340 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,1,1,0,0,0|2,0,0]=4 3341 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,1,1,0,0,0|2,0,0]=4 3342 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,1,1,0,0,0|2,0,0]=4 3343 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,1,1,0,0,0|2,0,0]=4 3344 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,1,1,0,0,0|2,0,0]=4 3345 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,1,1,0,0,0|2,0,0]=4 3346 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,1,1,0,0,0|2,0,0]=4 3347 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [0,1,1,0,0,0|1,0,1]=4 3348 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [0,1,1,0,0,0|1,0,1]=4 3349 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,1,1,0,0,0|2,0,0]=4 3350 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,1,1,0,0,0|2,0,0]=4 3351 B10R0.2 COCC(O)CN(C)CC=O 2230a_100000739405_200015260668 [0,1,1,0,0,0|2,0,0]=4 3352 B10R0.2 COCC(O)CN(C)CC=O 269982a_100000739405_200015260668 [0,1,1,0,0,0|2,0,0]=4 3353 B10R0.19 C=CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000754431 [0,1,1,0,0,0|1,0,1]=4 3354 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,1,1,0,0,0|1,0,1]=4 3355 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,1,1,0,0,0|2,0,0]=4 3356 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [0,1,1,0,0,0|2,0,0]=4 3357 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [0,1,1,0,0,0|2,0,0]=4 3358 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [0,1,1,0,0,0|2,0,0]=4 3359 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [0,1,1,0,0,0|2,0,0]=4 3360 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [0,1,1,0,0,0|2,0,0]=4 3361 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [0,1,1,0,0,0|2,0,0]=4 3362 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,1,1,0,0,0|2,0,0]=4 3363 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,1,1,0,0,0|2,0,0]=4 3364 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,1,1,0,0,0|2,0,0]=4 3365 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,1,1,0,0,0|2,0,0]=4 3366 B10R0.19 CCCC(C)C(C)OCC=O 34a_100000708338_200009817547 [0,1,1,0,0,0|2,0,0]=4 3367 B10R0.19 CCCC(C)C(C)OCC=O 7a_100000708338_200015260668 [0,1,1,0,0,0|2,0,0]=4 3368 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,1,1,0,0,0|2,0,0]=4 3369 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,1,1,0,0,0|1,0,0]=3 3370 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,1,1,0,0,0|1,0,0]=3 3371 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,1,1,0,0,0|2,0,0]=4 3372 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,1,1,0,0,0|2,0,0]=4 3373 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,1,1,0,0,0|2,0,0]=4 3374 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,1,1,0,0,0|2,0,0]=4 3375 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,1,1,0,0,0|2,0,0]=4 3376 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,1,1,0,0,0|2,0,0]=4 3377 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,1,1,0,0,0|2,0,0]=4 3378 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,1,1,0,0,0|2,0,0]=4 3379 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,1,1,0,0,0|1,0,0]=3 3380 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,1,1,0,0,0|2,0,0]=4 3381 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,1,1,0,0,0|2,0,0]=4 3382 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,1,1,0,0,0|2,0,0]=4 3383 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,1,1,0,0,0|2,0,0]=4 3384 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,1,1,0,0,0|1,0,0]=3 3385 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,1,1,0,0,0|1,0,0]=3 3386 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,1,1,0,0,0|1,0,0]=3 3387 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,1,1,0,0,0|1,0,0]=3 3388 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,1,1,0,0,0|2,0,0]=4 3389 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,1,1,0,0,0|2,0,0]=4 3390 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,1,1,0,0,0|2,0,0]=4 3391 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,1,1,0,0,0|2,0,0]=4 3392 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,1,1,0,0,0|2,0,0]=4 3393 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,1,1,0,0,0|2,0,0]=4 3394 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,1,1,0,0,0|2,0,0]=4 3395 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,1,1,0,0,0|2,0,0]=4 3396 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,1,1,0,0,0|2,0,0]=4 3397 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,1,1,0,0,0|2,0,0]=4 3398 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,1,1,0,0,0|2,0,0]=4 3399 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,1,1,0,0,0|2,0,0]=4 3400 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,1,1,0,0,0|2,0,0]=4 3401 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,1,1,0,0,0|2,0,0]=4 3402 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,1,1,0,0,0|2,0,0]=4 3403 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,1,1,0,0,0|2,0,0]=4 3404 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,1,1,0,0,0|2,0,0]=4 3405 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,1,1,0,0,0|2,0,0]=4 3406 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,1,1,0,0,0|2,0,0]=4 3407 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,1,1,0,0,0|2,0,0]=4 3408 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [0,1,1,0,0,0|1,0,1]=4 3409 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [0,1,1,0,0,0|1,0,1]=4 3410 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [0,1,1,0,0,0|1,0,1]=4 3411 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [0,1,1,0,0,0|1,0,1]=4 3412 B10R0.24 C=CCCN[C@H](CO)CCC 2230a_100000732646_100000754431 [0,1,1,0,0,0|2,0,0]=4 3413 B10R0.24 C=CCCN[C@H](CO)CCC 34a_100000732646_100000754431 [0,1,1,0,0,0|2,0,0]=4 3414 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [0,1,1,0,0,0|1,0,1]=4 3415 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [0,1,1,0,0,0|1,0,1]=4 3416 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [0,1,1,0,0,0|1,0,1]=4 3417 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [0,1,1,0,0,0|1,0,1]=4 3418 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [0,1,1,0,0,0|1,0,1]=4 3419 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [0,1,1,0,0,0|1,0,1]=4 3420 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [0,1,1,0,0,0|1,0,1]=4 3421 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [0,1,1,0,0,0|1,0,1]=4 3422 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [0,1,1,0,0,0|1,0,1]=4 3423 B10R0.24 CCCN(CC)CCCC=O 2230a_100000226822_200011292268 [0,1,1,0,0,0|2,0,0]=4 3424 B10R0.24 CCCN(CC)CCCC=O 269982a_100000226822_200011292268 [0,1,1,0,0,0|2,0,0]=4 3425 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,1,1,0,0,0|2,0,0]=4 3426 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,1,1,0,0,0|2,0,0]=4 3427 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,1,1,0,0,0|2,0,0]=4 3428 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,1,1,0,0,0|2,0,0]=4 3429 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,1,1,0,0,0|2,0,0]=4 3430 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,1,1,0,0,0|2,0,0]=4 3431 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [0,1,1,0,0,0|2,0,0]=4 3432 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [0,1,1,0,0,0|2,0,0]=4 3433 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [0,1,1,0,0,0|2,0,0]=4 3434 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [0,1,1,0,0,0|2,0,0]=4 3435 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,1,1,0,0,0|2,0,0]=4 3436 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,1,1,0,0,0|2,0,0]=4 3437 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,1,1,0,0,0|2,0,0]=4 3438 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,1,1,0,0,0|2,0,0]=4 3439 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,1,1,0,0,0|2,0,0]=4 3440 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,1,1,0,0,0|2,0,0]=4 3441 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,1,1,0,0,0|2,0,0]=4 3442 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,1,1,0,0,0|2,0,0]=4 3443 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,1,1,0,0,0|2,0,0]=4 3444 B10R0.83 CCC(C)N(C)CCCC=O 2230a_100000741768_200011292268 [0,1,1,0,0,0|2,0,0]=4 3445 B10R0.83 CCC(C)N(C)CCCC=O 269982a_100000741768_200011292268 [0,1,1,0,0,0|2,0,0]=4 3446 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,1,1,0,0,0|2,0,0]=4 3447 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,1,1,0,0,0|2,0,0]=4 3448 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,1,1,0,0,0|2,0,0]=4 3449 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,1,1,0,0,0|2,0,0]=4 3450 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,1,1,0,0,0|2,0,0]=4 3451 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,1,1,0,0,0|2,0,0]=4 3452 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,1,1,0,0,0|2,0,0]=4 3453 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [0,1,1,0,0,0|1,0,1]=4 3454 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,1,1,0,0,0|1,0,1]=4 3455 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,1,1,0,0,0|1,0,0]=3 3456 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,1,1,0,0,0|1,0,0]=3 3457 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,1,1,0,0,0|2,0,0]=4 3458 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,1,1,0,0,0|2,0,0]=4 3459 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,1,1,0,0,0|1,0,0]=3 3460 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,1,1,0,0,0|2,0,0]=4 3461 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,1,1,0,0,0|2,0,0]=4 3462 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,1,1,0,0,0|2,0,0]=4 3463 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,1,1,0,0,0|2,0,0]=4 3464 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,1,1,0,0,0|2,0,0]=4 3465 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,1,1,0,0,0|1,0,0]=3 3466 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,1,1,0,0,0|1,0,0]=3 3467 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,1,1,0,0,0|1,0,0]=3 3468 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,1,1,0,0,0|1,0,0]=3 3469 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,1,1,0,0,0|2,0,0]=4 3470 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,1,1,0,0,0|2,0,0]=4 3471 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,1,1,0,0,0|2,0,0]=4 3472 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,1,1,0,0,0|2,0,0]=4 3473 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,1,1,0,0,0|2,0,0]=4 3474 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,1,1,0,0,0|2,0,0]=4 3475 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,1,1,0,0,0|2,0,0]=4 3476 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,1,1,0,0,0|2,0,0]=4 3477 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,1,1,0,0,0|2,0,0]=4 3478 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,1,1,0,0,0|2,0,0]=4 3479 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,1,1,0,0,0|2,0,0]=4 3480 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,1,1,0,0,0|2,0,0]=4 3481 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,1,1,0,0,0|2,0,0]=4 3482 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,1,1,0,0,0|2,0,0]=4 3483 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,1,1,0,0,0|2,0,0]=4 3484 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,1,1,0,0,0|2,0,0]=4 3485 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,1,1,0,0,0|1,0,0]=3 3486 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,1,1,0,0,0|2,0,0]=4 3487 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,1,1,0,0,0|2,0,0]=4 3488 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,1,1,0,0,0|2,0,0]=4 3489 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,1,1,0,0,0|1,0,0]=3 3490 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,1,1,0,0,0|1,0,0]=3 3491 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,1,1,0,0,0|1,0,0]=3 3492 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,1,1,0,0,0|1,0,0]=3 3493 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,1,1,0,0,0|1,0,0]=3 3494 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,1,1,0,0,0|1,0,0]=3 3495 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,1,1,0,0,0|1,0,0]=3 3496 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,1,1,0,0,0|1,0,0]=3 3497 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,1,1,0,0,0|1,0,0]=3 3498 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,1,1,0,0,0|1,0,0]=3 3499 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,1,1,0,0,0|1,0,0]=3 3500 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,1,1,0,0,0|1,0,0]=3 3501 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,1,1,0,0,0|1,0,1]=4 3502 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [0,1,1,0,0,0|2,0,0]=4 3503 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,1,1,0,0,0|2,0,0]=4 3504 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,1,1,0,0,0|2,0,0]=4 3505 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,1,1,0,0,0|2,0,0]=4 3506 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,1,1,0,0,0|2,0,0]=4 3507 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,1,1,0,0,0|2,0,0]=4 3508 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,1,1,0,0,0|2,0,0]=4 3509 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,1,1,0,0,0|2,0,0]=4 3510 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,1,1,0,0,0|2,0,0]=4 3511 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,1,1,0,0,0|2,0,0]=4 3512 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,1,1,0,0,0|1,0,1]=4 3513 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,1,1,0,0,0|1,0,1]=4 3514 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [0,1,1,0,0,0|1,0,1]=4 3515 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [0,1,1,0,0,0|1,0,1]=4 3516 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [0,1,1,0,0,0|1,0,1]=4 3517 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [0,1,1,0,0,0|1,0,1]=4 3518 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,1,1,0,0,0|1,0,1]=4 3519 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,1,1,0,0,0|1,0,1]=4 3520 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,1,1,0,0,0|1,0,1]=4 3521 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,1,1,0,0,0|1,0,1]=4 3522 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,1,1,0,0,0|1,0,1]=4 3523 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,1,1,0,0,0|1,0,1]=4 3524 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,1,1,0,0,0|1,0,1]=4 3525 B10R0.91 C=CCNCC(O)COCC 2230a_102515437182_100000210623 [0,1,1,0,0,0|2,0,0]=4 3526 B10R0.91 C=CCNCC(O)COCC 34a_102515437182_100015514636 [0,1,1,0,0,0|2,0,0]=4 3527 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,1,1,0,0,0|1,0,1]=4 3528 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,1,1,0,0,0|1,0,1]=4 3529 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,1,1,0,0,0|1,0,1]=4 3530 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,1,1,0,0,0|1,0,1]=4 3531 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,1,1,0,0,0|1,0,1]=4 3532 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,1,1,0,0,0|1,0,1]=4 3533 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,1,1,0,0,0|1,0,1]=4 3534 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,1,1,0,0,0|1,0,1]=4 3535 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,1,0,0,0|1,0,1]=4 3536 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,1,1,0,0,0|1,0,1]=4 3537 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,1,1,0,0,0|1,0,1]=4 3538 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,1,1,0,0,0|1,0,1]=4 3539 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [0,1,1,0,0,0|1,0,1]=4 3540 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [0,1,1,0,0,0|1,0,1]=4 3541 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [0,1,1,0,0,0|1,0,1]=4 3542 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [0,1,1,0,0,0|1,0,1]=4 3543 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [0,1,1,0,0,0|1,0,1]=4 3544 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [0,1,1,0,0,0|1,0,1]=4 3545 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,1,1,0,0,0|1,0,1]=4 3546 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,1,1,0,0,0|1,0,1]=4 3547 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,1,1,0,0,0|1,0,1]=4 3548 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,1,1,0,0,0|1,0,1]=4 3549 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,1,1,0,0,0|1,0,1]=4 3550 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,1,1,0,0,0|1,0,1]=4 3551 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,1,1,0,0,0|1,0,1]=4 3552 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,1,1,0,0,0|1,0,1]=4 3553 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,1,1,0,0,0|2,0,0]=4 3554 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,1,1,0,0,0|2,0,0]=4 3555 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,1,1,0,0,0|2,0,0]=4 3556 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,1,1,0,0,0|2,0,0]=4 3557 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,1,1,0,0,0|2,0,0]=4 3558 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,1,1,0,0,0|2,0,0]=4 3559 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,1,1,0,0,0|2,0,0]=4 3560 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,1,1,0,0,0|2,0,0]=4 3561 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,1,1,0,0,0|2,0,0]=4 3562 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,1,1,0,0,0|2,0,0]=4 3563 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,1,1,0,0,0|2,0,0]=4 3564 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,1,1,0,0,0|2,0,0]=4 3565 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,1,1,0,0,0|2,0,0]=4 3566 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,1,1,0,0,0|2,0,0]=4 3567 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,1,1,0,0,0|2,0,0]=4 3568 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,1,1,0,0,0|2,0,0]=4 3569 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,1,1,0,0,0|2,0,0]=4 3570 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,1,1,0,0,0|2,0,0]=4 3571 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,1,1,0,0,0|2,0,0]=4 3572 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,1,1,0,0,0|2,0,0]=4 3573 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,1,1,0,0,0|2,0,0]=4 3574 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,1,1,0,0,0|2,0,0]=4 3575 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,1,1,0,0,0|2,0,0]=4 3576 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,1,1,0,0,0|2,0,0]=4 3577 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,1,1,0,0,0|2,0,0]=4 3578 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [0,1,1,0,0,0|2,0,0]=4 3579 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,1,1,0,0,0|2,0,0]=4 3580 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,1,1,0,0,0|2,0,0]=4 3581 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,1,1,0,0,0|1,0,1]=4 3582 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,1,1,0,0,0|1,0,1]=4 3583 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,1,1,0,0,0|1,0,0]=3 3584 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,1,1,0,0,0|1,0,0]=3 3585 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,1,1,0,0,0|1,0,0]=3 3586 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,1,0,0,0|1,0,0]=3 3587 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,1,1,0,0,0|1,0,0]=3 3588 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,1,1,0,0,0|1,0,0]=3 3589 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,1,1,0,0,0|1,0,0]=3 3590 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,1,1,0,0,0|1,0,0]=3 3591 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,1,1,0,0,0|1,0,0]=3 3592 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,1,1,0,0,0|1,0,0]=3 3593 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,1,1,0,0,0|1,0,0]=3 3594 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,1,1,0,0,0|1,0,0]=3 3595 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,1,1,0,0,0|1,0,0]=3 3596 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,1,1,0,0,0|1,0,0]=3 3597 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,1,1,0,0,0|2,0,0]=4 3598 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,1,1,0,0,0|2,0,0]=4 3599 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,1,1,0,0,0|1,0,0]=3 3600 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,1,1,0,0,0|1,0,0]=3 3601 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,1,1,0,0,0|1,0,0]=3 3602 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,1,1,0,0,0|1,0,0]=3 3603 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,1,1,0,0,0|2,0,0]=4 3604 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,1,1,0,0,0|2,0,0]=4 3605 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,1,1,0,0,0|2,0,0]=4 3606 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,1,1,0,0,0|2,0,0]=4 3607 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,1,1,0,0,0|2,0,0]=4 3608 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,1,1,0,0,0|2,0,0]=4 3609 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,1,1,0,0,0|2,0,0]=4 3610 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,1,1,0,0,0|2,0,0]=4 3611 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,1,1,0,0,0|2,0,0]=4 3612 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [0,1,1,0,0,0|1,0,1]=4 3613 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [0,1,1,0,0,0|1,0,1]=4 3614 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [0,1,1,0,0,0|1,0,1]=4 3615 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [0,1,1,0,0,0|1,0,1]=4 3616 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,1,1,0,0,0|1,0,0]=3 3617 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,1,1,0,0,0|1,0,0]=3 3618 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,1,1,0,0,0|1,0,0]=3 3619 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,1,1,0,0,0|1,0,0]=3 3620 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,1,1,0,0,0|1,0,0]=3 3621 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,1,1,0,0,0|1,0,0]=3 3622 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,1,1,0,0,0|1,0,0]=3 3623 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,1,1,0,0,0|1,0,0]=3 3624 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,1,1,0,0,0|1,0,0]=3 3625 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,1,1,0,0,0|1,0,0]=3 3626 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,1,1,0,0,0|1,0,0]=3 3627 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,1,1,0,0,0|1,0,0]=3 3628 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,1,1,0,0,0|1,0,0]=3 3629 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,1,1,0,0,0|1,0,0]=3 3630 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,1,1,0,0,0|1,0,0]=3 3631 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,1,1,0,0,0|1,0,0]=3 3632 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,1,1,0,0,0|1,0,0]=3 3633 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,1,1,0,0,0|1,0,0]=3 3634 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,1,1,0,0,0|1,0,0]=3 3635 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,1,1,0,0,0|1,0,0]=3 3636 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,1,1,0,0,0|1,0,0]=3 3637 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,1,1,0,0,0|1,0,0]=3 3638 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,1,1,0,0,0|1,0,0]=3 3639 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,1,1,0,0,0|1,0,0]=3 3640 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [0,1,1,0,0,0|2,0,0]=4 3641 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [0,1,1,0,0,0|2,0,0]=4 3642 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,1,1,0,0,0|1,0,0]=3 3643 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,1,1,0,0,0|1,0,0]=3 3644 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,1,1,0,0,0|1,0,0]=3 3645 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,1,1,0,0,0|1,0,0]=3 3646 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,1,1,0,0,0|1,0,0]=3 3647 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,1,1,0,0,0|1,0,0]=3 3648 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,1,1,0,0,0|2,0,0]=4 3649 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,1,1,0,0,0|2,0,0]=4 3650 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,1,1,0,0,0|2,0,0]=4 3651 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,1,1,0,0,0|2,0,0]=4 3652 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,1,1,0,0,0|2,0,0]=4 3653 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,1,1,0,0,0|2,0,0]=4 3654 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,1,1,0,0,0|2,0,0]=4 3655 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,1,1,0,0,0|2,0,0]=4 3656 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [0,1,1,0,0,0|2,0,0]=4 3657 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [0,1,1,0,0,0|2,0,0]=4 3658 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [0,1,1,0,0,0|2,0,0]=4 3659 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,1,1,0,0,0|0,0,0]=2 3660 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,1,1,0,0,0|0,0,0]=2 3661 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,1,1,0,0,0|0,0,0]=2 3662 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,1,1,0,0,0|0,0,0]=2 3663 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [0,1,1,0,0,0|1,0,0]=3 3664 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [0,1,1,0,0,0|1,0,0]=3 3665 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,1,1,0,0,0|1,0,1]=4 3666 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,1,1,0,0,0|1,0,1]=4 3667 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,1,1,0,0,0|1,0,1]=4 3668 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,1,1,0,0,0|1,0,1]=4 3669 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,1,1,0,0,0|1,0,1]=4 3670 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,1,1,0,0,0|1,0,1]=4 3671 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,1,1,0,0,0|1,0,1]=4 3672 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,1,1,0,0,0|1,0,1]=4 3673 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,1,1,0,0,0|2,0,0]=4 3674 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,1,1,0,0,0|2,0,0]=4 3675 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,1,1,0,0,0|2,0,0]=4 3676 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,1,1,0,0,0|2,0,0]=4 3677 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,1,1,0,0,0|2,0,0]=4 3678 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,1,1,0,0,0|2,0,0]=4 3679 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,1,1,0,0,0|2,0,0]=4 3680 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,1,1,0,0,0|2,0,0]=4 3681 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,1,1,0,0,0|2,0,0]=4 3682 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,1,1,0,0,0|2,0,0]=4 3683 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,1,1,0,0,0|2,0,0]=4 3684 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,1,1,0,0,0|2,0,0]=4 3685 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,1,1,0,0,0|2,0,0]=4 3686 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,1,1,0,0,0|2,0,0]=4 3687 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,1,1,0,0,0|2,0,0]=4 3688 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,1,1,0,0,0|2,0,0]=4 3689 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,1,1,0,0,0|2,0,0]=4 3690 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,1,1,0,0,0|2,0,0]=4 3691 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,1,1,0,0,0|2,0,0]=4 3692 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,1,1,0,0,0|2,0,0]=4 3693 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,1,1,0,0,0|2,0,0]=4 3694 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,1,1,0,0,0|2,0,0]=4 3695 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,1,1,0,0,0|2,0,0]=4 3696 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,1,1,0,0,0|2,0,0]=4 3697 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,1,1,0,0,0|2,0,0]=4 3698 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,1,1,0,0,0|2,0,0]=4 3699 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,1,1,0,0,0|2,0,0]=4 3700 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,1,1,0,0,0|2,0,0]=4 3701 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,1,1,0,0,0|2,0,0]=4 3702 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,1,1,0,0,0|2,0,0]=4 3703 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,1,1,0,0,0|2,0,0]=4 3704 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,1,1,0,0,0|2,0,0]=4 3705 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,1,1,0,0,0|2,0,0]=4 3706 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,1,1,0,0,0|2,0,0]=4 3707 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,1,1,0,0,0|2,0,0]=4 3708 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [0,1,1,0,0,0|2,0,0]=4 3709 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [0,1,1,0,0,0|2,0,0]=4 3710 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [0,1,1,0,0,0|2,0,0]=4 3711 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [0,1,1,0,0,0|2,0,0]=4 3712 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [0,1,1,0,0,0|2,0,0]=4 3713 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [0,1,1,0,0,0|2,0,0]=4 3714 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [0,1,1,0,0,0|2,0,0]=4 3715 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [0,1,1,0,0,0|2,0,0]=4 3716 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [0,1,1,0,0,0|2,0,0]=4 3717 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [0,1,1,0,0,0|2,0,0]=4 3718 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [0,1,1,0,0,0|2,0,0]=4 3719 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [0,1,1,0,0,0|2,0,0]=4 3720 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [0,1,1,0,0,0|2,0,0]=4 3721 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [0,1,1,0,0,0|2,0,0]=4 3722 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [0,1,1,0,0,0|2,0,0]=4 3723 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [0,1,1,0,0,0|2,0,0]=4 3724 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [0,1,1,0,0,0|2,0,0]=4 3725 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [0,1,1,0,0,0|2,0,0]=4 3726 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [0,1,1,0,0,0|2,0,0]=4 3727 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,1,1,0,0,0|2,0,0]=4 3728 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [0,1,1,0,0,0|2,0,0]=4 3729 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [0,1,1,0,0,0|2,0,0]=4 3730 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,1,1,0,0,0|2,0,0]=4 3731 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [0,1,1,0,0,0|2,0,0]=4 3732 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [0,1,1,0,0,0|2,0,0]=4 3733 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [0,1,1,0,0,0|2,0,0]=4 3734 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [0,1,1,0,0,0|2,0,0]=4 3735 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,1,1,0,0,0|2,0,0]=4 3736 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,1,1,0,0,0|2,0,0]=4 3737 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,1,1,0,0,0|1,0,0]=3 3738 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,1,1,0,0,0|1,0,0]=3 3739 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [0,1,1,0,0,0|2,0,0]=4 3740 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [0,1,1,0,0,0|2,0,0]=4 3741 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [0,1,1,0,0,0|2,0,0]=4 3742 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,1,1,0,0,0|2,0,0]=4 3743 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,1,1,0,0,0|2,0,0]=4 3744 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,1,1,0,0,0|2,0,0]=4 3745 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,1,1,0,0,0|2,0,0]=4 3746 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,1,1,0,0,0|2,0,0]=4 3747 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,1,1,0,0,0|2,0,0]=4 3748 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,1,1,0,0,0|2,0,0]=4 3749 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,1,1,0,0,0|2,0,0]=4 3750 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,1,1,0,0,0|2,0,0]=4 3751 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [0,1,1,0,0,0|2,0,0]=4 3752 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [0,1,1,0,0,0|2,0,0]=4 3753 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [0,1,1,0,0,0|1,0,0]=3 3754 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,1,1,0,0,0|2,0,0]=4 3755 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,1,1,0,0,0|2,0,0]=4 3756 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,1,1,0,0,0|2,0,0]=4 3757 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,1,1,0,0,0|2,0,0]=4 3758 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,1,1,0,0,0|2,0,0]=4 3759 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,1,1,0,0,0|2,0,0]=4 3760 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,1,1,0,0,0|2,0,0]=4 3761 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,1,1,0,0,0|2,0,0]=4 3762 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,1,1,0,0,0|2,0,0]=4 3763 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,1,1,0,0,0|2,0,0]=4 3764 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,1,1,0,0,0|2,0,0]=4 3765 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,1,1,0,0,0|2,0,0]=4 3766 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,1,1,0,0,0|2,0,0]=4 3767 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,1,1,0,0,0|2,0,0]=4 3768 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,1,1,0,0,0|2,0,0]=4 3769 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,1,1,0,0,0|2,0,0]=4 3770 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,1,1,0,0,0|2,0,0]=4 3771 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,1,1,0,0,0|2,0,0]=4 3772 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,1,1,0,0,0|1,0,0]=3 3773 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [0,1,1,0,0,0|1,0,0]=3 3774 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [0,1,1,0,0,0|1,0,0]=3 3775 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,1,1,0,0,0|2,0,0]=4 3776 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,1,1,0,0,0|2,0,0]=4 3777 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,1,1,0,0,0|2,0,0]=4 3778 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,1,1,0,0,0|2,0,0]=4 3779 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,1,1,0,0,0|2,0,0]=4 3780 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,1,1,0,0,0|2,0,0]=4 3781 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,1,1,0,0,0|2,0,0]=4 3782 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,1,1,0,0,0|2,0,0]=4 3783 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,1,1,0,0,0|2,0,0]=4 3784 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,1,1,0,0,0|2,0,0]=4 3785 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,1,1,0,0,0|2,0,0]=4 3786 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [0,1,1,0,0,0|2,0,0]=4 3787 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [0,1,1,0,0,0|2,0,0]=4 3788 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [0,1,1,0,0,0|2,0,0]=4 3789 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [0,1,1,0,0,0|2,0,0]=4 3790 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [0,1,1,0,0,0|2,0,0]=4 3791 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [0,1,1,0,0,0|2,0,0]=4 3792 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [0,1,1,0,0,0|2,0,0]=4 3793 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [0,1,1,0,0,0|2,0,0]=4 3794 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [0,1,1,0,0,0|2,0,0]=4 3795 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [0,1,1,0,0,0|2,0,0]=4 3796 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [0,1,1,0,0,0|2,0,0]=4 3797 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [0,1,1,0,0,0|2,0,0]=4 3798 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [0,1,1,0,0,0|2,0,0]=4 3799 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [0,1,1,0,0,0|2,0,0]=4 3800 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [0,1,1,0,0,0|2,0,0]=4 3801 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [0,1,1,0,0,0|1,0,0]=3 3802 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [0,1,1,0,0,0|1,0,0]=3 3803 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,1,1,0,0,0|2,0,0]=4 3804 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,1,1,0,0,0|2,0,0]=4 3805 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,1,1,0,0,0|2,0,0]=4 3806 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,1,1,0,0,0|2,0,0]=4 3807 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,1,1,0,0,0|2,0,0]=4 3808 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,1,1,0,0,0|2,0,0]=4 3809 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,1,1,0,0,0|2,0,0]=4 3810 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [0,1,1,0,0,0|2,0,0]=4 3811 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [0,1,1,0,0,0|2,0,0]=4 3812 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,1,1,0,0,0|2,0,0]=4 3813 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,1,1,0,0,0|2,0,0]=4 3814 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,1,1,0,0,0|2,0,0]=4 3815 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,1,1,0,0,0|2,0,0]=4 3816 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [0,1,1,0,0,0|2,0,0]=4 3817 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [0,1,1,0,0,0|2,0,0]=4 3818 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [0,1,1,0,0,0|2,0,0]=4 3819 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [0,1,1,0,0,0|2,0,0]=4 3820 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,1,1,0,0,0|2,0,0]=4 3821 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,1,1,0,0,0|2,0,0]=4 3822 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,1,1,0,0,0|2,0,0]=4 3823 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,1,1,0,0,0|2,0,0]=4 3824 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,1,1,0,0,0|2,0,0]=4 3825 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,1,1,0,0,0|2,0,0]=4 3826 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,1,1,0,0,0|2,0,0]=4 3827 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,1,1,0,0,0|2,0,0]=4 3828 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,1,1,0,0,0|2,0,0]=4 3829 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,1,1,0,0,0|2,0,0]=4 3830 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,1,1,0,0,0|2,0,0]=4 3831 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,1,1,0,0,0|2,0,0]=4 3832 B10R0.91 COCCN(C)CCCC=O 2230a_100000743101_200011292268 [0,1,1,0,0,0|2,0,0]=4 3833 B10R0.91 COCCN(C)CCCC=O 269982a_100000743101_200011292268 [0,1,1,0,0,0|2,0,0]=4 3834 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,1,1,0,0,0|2,0,0]=4 3835 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,1,1,0,0,0|2,0,0]=4 3836 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,1,1,0,0,0|2,0,0]=4 3837 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [0,1,1,0,0,0|2,0,0]=4 3838 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [0,1,1,0,0,0|2,0,0]=4 3839 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [0,1,1,0,0,0|2,0,0]=4 3840 B10R0.91 COCCOC(=O)CSCF 62a_100015361967_200000040189 [0,1,1,0,0,0|2,0,0]=4 3841 B10R0.91 COCCOC(=O)CSCF 62a_200000040189_100015361967 [0,1,1,0,0,0|2,0,0]=4 3842 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,1,1,0,0,0|2,0,0]=4 3843 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,1,1,0,0,0|2,0,0]=4 3844 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,1,1,0,0,0|2,0,0]=4 3845 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [0,1,1,0,0,0|2,0,0]=4 3846 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [0,1,1,0,0,0|2,0,0]=4 3847 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [0,1,1,0,0,0|2,0,0]=4 3848 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [0,1,1,0,0,0|2,0,0]=4 3849 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [0,1,1,0,0,0|2,0,0]=4 3850 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [0,1,1,0,0,0|2,0,0]=4 3851 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,1,1,0,0,0|2,0,0]=4 3852 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,1,1,0,0,0|2,0,0]=4 3853 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,1,1,0,0,0|2,0,0]=4 3854 B10R0.91 CSCCN(C)CCCC=O 2230a_100000686725_200011292268 [0,1,1,0,0,0|2,0,0]=4 3855 B10R0.91 CSCCN(C)CCCC=O 269982a_100000686725_200011292268 [0,1,1,0,0,0|2,0,0]=4 3856 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [0,1,1,0,0,0|2,0,0]=4 3857 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [0,1,1,0,0,0|2,0,0]=4 3858 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [0,1,1,0,0,0|2,0,0]=4 3859 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [0,1,1,0,0,0|2,0,0]=4 3860 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [0,1,1,0,0,0|2,0,0]=4 3861 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [0,1,1,0,0,0|2,0,0]=4 3862 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [0,1,1,0,0,0|2,0,0]=4 3863 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,1,1,0,0,0|2,0,0]=4 3864 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,1,1,0,0,0|2,0,0]=4 3865 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,1,1,0,0,0|2,0,0]=4 3866 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,1,1,0,0,0|2,0,0]=4 3867 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,1,1,0,0,0|2,0,0]=4 3868 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,1,1,0,0,0|2,0,0]=4 3869 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,1,1,0,0,0|2,0,0]=4 3870 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,1,1,0,0,0|2,0,0]=4 3871 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,1,1,0,0,0|2,0,0]=4 3872 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,1,1,0,0,0|2,0,0]=4 3873 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,1,1,0,0,0|2,0,0]=4 3874 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,1,1,0,0,0|2,0,0]=4 3875 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,1,1,0,0,0|2,0,0]=4 3876 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,1,1,0,0,0|2,0,0]=4 3877 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,1,1,0,0,0|2,0,0]=4 3878 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,1,1,0,0,0|2,0,0]=4 3879 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,1,1,0,0,0|2,0,0]=4 3880 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,1,1,0,0,0|2,0,0]=4 3881 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,1,1,0,0,0|2,0,0]=4 3882 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,1,1,0,0,0|2,0,0]=4 3883 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,1,0,0,0|1,0,0]=3 3884 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,1,1,0,0,0|2,0,0]=4 3885 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,1,1,0,0,0|2,0,0]=4 3886 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,1,1,0,0,0|2,0,0]=4 3887 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,1,1,0,0,0|2,0,0]=4 3888 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,1,1,0,0,0|2,0,0]=4 3889 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,1,1,0,0,0|2,0,0]=4 3890 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,1,1,0,0,0|1,0,0]=3 3891 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,1,1,0,0,0|1,0,0]=3 3892 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,1,1,0,0,0|1,0,0]=3 3893 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,1,1,0,0,0|1,0,0]=3 3894 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,1,1,0,0,0|2,0,0]=4 3895 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,1,1,0,0,0|2,0,0]=4 3896 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,1,1,0,0,0|1,0,0]=3 3897 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,1,1,0,0,0|1,0,0]=3 3898 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,1,1,0,0,0|1,0,0]=3 3899 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,1,1,0,0,0|2,0,0]=4 3900 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,1,1,0,0,0|2,0,0]=4 3901 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,1,1,0,0,0|2,0,0]=4 3902 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,1,1,0,0,0|2,0,0]=4 3903 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,1,1,0,0,0|2,0,0]=4 3904 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,1,1,0,0,0|2,0,0]=4 3905 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,1,1,0,0,0|2,0,0]=4 3906 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,1,1,0,0,0|2,0,0]=4 3907 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [0,1,1,0,0,0|2,0,0]=4 3908 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,1,1,0,0,0|0,0,1]=3 3909 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,1,1,0,0,0|1,0,1]=4 3910 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [0,1,1,0,0,0|1,0,0]=3 3911 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [0,1,1,0,0,0|1,0,0]=3 3912 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,1,1,0,0,0|1,0,1]=4 3913 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,1,1,0,0,0|1,0,1]=4 3914 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,1,1,0,0,0|1,0,1]=4 3915 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,1,1,0,0,0|1,0,1]=4 3916 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,1,1,0,0,0|1,0,1]=4 3917 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,1,1,0,0,0|1,0,1]=4 3918 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,1,1,0,0,0|1,0,1]=4 3919 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,1,1,0,0,0|2,0,0]=4 3920 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,1,1,0,0,0|2,0,0]=4 3921 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,1,1,0,0,0|2,0,0]=4 3922 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,1,0,0,0|2,0,0]=4 3923 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,1,1,0,0,0|2,0,0]=4 3924 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,1,1,0,0,0|2,0,0]=4 3925 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,1,1,0,0,0|2,0,0]=4 3926 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,1,1,0,0,0|2,0,0]=4 3927 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,1,1,0,0,0|2,0,0]=4 3928 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,1,1,0,0,0|2,0,0]=4 3929 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,1,1,0,0,0|2,0,0]=4 3930 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,1,1,0,0,0|2,0,0]=4 3931 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,1,1,0,0,0|2,0,0]=4 3932 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,1,1,0,0,0|2,0,0]=4 3933 B10R0.156 CCCC(C)(C)COCC=O 7a_100011995695_200015260668 [0,1,1,0,0,0|2,0,0]=4 3934 B10R0.156 CCCCNS(=O)(=O)CCC 270084a_100000102301_100000211391 [0,1,1,0,0,0|2,0,0]=4 3935 B10R0.156 CCCCNS(=O)(=O)CCC 274078a_100000102301_100000211391 [0,1,1,0,0,0|2,0,0]=4 3936 B10R0.156 CCCCNS(=O)(=O)CCC 40a_100000102301_100000054278 [0,1,1,0,0,0|2,0,0]=4 3937 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [0,1,1,0,0,0|1,0,1]=4 3938 B10R0.8 CCCC(CC)NS(=O)(=O)C 40a_100000747048_100000738038 [0,1,1,0,0,0|2,0,0]=4 3939 B10R0.8 CCCC(CC)OC(C)(C)C 34a_100000687864_100000210625 [0,1,1,0,0,0|1,0,1]=4 3940 B10R0.8 CCCC(CC)OC(C)(C)C 7a_100015890283_100011219200 [0,1,1,0,0,0|1,0,1]=4 3941 B10R0.23 CC(=O)NC(CCO)C(C)C 240690a_100161115045_100015343762 [0,1,1,0,0,0|2,0,0]=4 3942 B10R0.23 CC(=O)NC(CCO)C(C)C 527a_100161115045_100103153847 [0,1,1,0,0,0|2,0,0]=4 3943 B10R0.23 CCCC(OC(C)C)C(C)C 34a_200011215069_100000210206 [0,1,1,0,0,0|1,0,1]=4 3944 B10R0.23 CCCC(OC(C)C)C(C)C 7a_200011215069_100000210206 [0,1,1,0,0,0|1,0,1]=4 3945 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,1,1,0,0,0|1,0,1]=4 3946 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,1,1,0,0,0|1,0,1]=4 3947 B10R0.23 COCC(NC(=O)C)C(C)C 11a_100000760233_100015343762 [0,1,1,0,0,0|2,0,0]=4 3948 B10R0.23 COCC(NC(=O)C)C(C)C 1626a_100000760233_100015343762 [0,1,1,0,0,0|2,0,0]=4 3949 B10R0.23 COCC(NC(=O)C)C(C)C 240690a_100000760233_100015343762 [0,1,1,0,0,0|2,0,0]=4 3950 B10R0.23 COCC(NC(=O)C)C(C)C 527a_100000760233_100103153847 [0,1,1,0,0,0|2,0,0]=4 3951 B10R0.25 C=C(C)C(=O)C(CC)CCC 1458a_100000185857_100011219200 [0,1,1,0,0,0|2,0,0]=4 3952 B10R0.25 CCCN(CC)C(C)C(=O)C 2230a_100000226822_100009814033 [0,1,1,0,0,0|2,0,0]=4 3953 B10R0.25 CCCN(CC)C(C)C(=O)C 269982a_100000226822_100009814033 [0,1,1,0,0,0|2,0,0]=4 3954 B10R0.29 C#CC(C)OC(CC)CCC 34a_100000687864_200000035995 [0,1,1,0,0,0|1,0,1]=4 3955 B10R0.29 C#C[C@@H](C)OC(CC)CCC 7a_100009815206_100011219200 [0,1,1,0,0,0|1,0,1]=4 3956 B10R0.29 C=CC(=O)NC(CC)CCC 1626a_100000747048_100000185746 [0,1,1,0,0,0|1,0,1]=4 3957 B10R0.29 C=CC(=O)NC(CC)CCC 240690a_100000747048_200121576911 [0,1,1,0,0,0|1,0,1]=4 3958 B10R0.29 CCC(=O)NC(CC)COC 11a_100000757820_100000210414 [0,1,1,0,0,0|2,0,0]=4 3959 B10R0.29 CCC(=O)NC(CC)COC 1626a_100000757820_100000210414 [0,1,1,0,0,0|2,0,0]=4 3960 B10R0.29 CCC(=O)NC(CC)COC 240690a_100000757820_100000210414 [0,1,1,0,0,0|2,0,0]=4 3961 B10R0.29 CCC(=O)NC(CC)COC 527a_100000757820_100000210414 [0,1,1,0,0,0|2,0,0]=4 3962 B10R0.29 CCC(COC)NC(=O)CO 240690a_100000757820_100000210174 [0,1,1,0,0,0|2,0,0]=4 3963 B10R0.29 CCC(COC)NC(=O)CO 527a_100000757820_100000210174 [0,1,1,0,0,0|2,0,0]=4 3964 B10R0.29 CCC(COC)NC(=O)NC 2708a_100000757820_106832991635 [0,1,1,0,0,0|2,0,0]=4 3965 B10R0.29 CCC(COC)NC(=O)NC 2708a_100102657272_100000757820 [0,1,1,0,0,0|2,0,0]=4 3966 B10R0.29 CCC(COC)NC(=O)NC 273464a_100000757820_100102657272 [0,1,1,0,0,0|2,0,0]=4 3967 B10R0.29 CCC(COC)NC(=O)NC 273464a_100102657272_100000757820 [0,1,1,0,0,0|2,0,0]=4 3968 B10R0.29 CCC(COC)NC(=O)NC 512a_100000757820_100102657272 [0,1,1,0,0,0|2,0,0]=4 3969 B10R0.29 CCC(COC)NC(=O)NC 512a_106832991638_100000757820 [0,1,1,0,0,0|2,0,0]=4 3970 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [0,1,1,0,0,0|2,0,0]=4 3971 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [0,1,1,0,0,0|2,0,0]=4 3972 B10R0.29 CCCC(CC)NC(=O)CC 11a_100000747048_100000210414 [0,1,1,0,0,0|1,0,0]=3 3973 B10R0.29 CCCC(CC)NC(=O)CC 1626a_100000747048_100000210414 [0,1,1,0,0,0|1,0,0]=3 3974 B10R0.29 CCCC(CC)NC(=O)CC 240690a_100000747048_100000210414 [0,1,1,0,0,0|1,0,0]=3 3975 B10R0.29 CCCC(CC)NC(=O)CC 527a_100000747048_100000210414 [0,1,1,0,0,0|1,0,0]=3 3976 B10R0.29 CCCC(CC)NC(=O)CO 240690a_100000747048_100000210174 [0,1,1,0,0,0|1,0,0]=3 3977 B10R0.29 CCCC(CC)NC(=O)CO 527a_100000747048_100000210174 [0,1,1,0,0,0|1,0,0]=3 3978 B10R0.29 CCCC(CC)NC(=O)NC 2708a_100000747048_106832991635 [0,1,1,0,0,0|1,0,0]=3 3979 B10R0.29 CCCC(CC)NC(=O)NC 2708a_100102657272_100000747048 [0,1,1,0,0,0|1,0,0]=3 3980 B10R0.29 CCCC(CC)NC(=O)NC 273464a_100000747048_100102657272 [0,1,1,0,0,0|1,0,0]=3 3981 B10R0.29 CCCC(CC)NC(=O)NC 273464a_100102657272_100000747048 [0,1,1,0,0,0|1,0,0]=3 3982 B10R0.29 CCCC(CC)NC(=O)NC 512a_100000747048_100102657272 [0,1,1,0,0,0|1,0,0]=3 3983 B10R0.29 CCCC(CC)NC(=O)NC 512a_106832991638_100000747048 [0,1,1,0,0,0|1,0,0]=3 3984 B10R0.29 CCCC(CC)OC(C)C#N 7a_100000687864_100000703298 [0,1,1,0,0,0|1,0,1]=4 3985 B10R0.29 CCCC(CC)OC(C)CC 34a_100000687864_100011215416 [0,1,1,0,0,0|1,0,1]=4 3986 B10R0.29 CCCC(CC)OC(C)CC 7a_100000210228_100011219200 [0,1,1,0,0,0|1,0,1]=4 3987 B10R0.29 CCCC(CC)OC(C)CC 7a_100000687864_100000758301 [0,1,1,0,0,0|1,0,1]=4 3988 B10R0.29 CCCC(CC)OC(C)CF 7a_100016041109_100011219200 [0,1,1,0,0,0|1,0,1]=4 3989 B10R0.29 CCCC(CC)OC(C)CO 34a_100000687864_100012180447 [0,1,1,0,0,0|0,0,2]=4 3990 B10R0.29 CCCC(CC)OC(C)CO 7a_100000687864_100012180447 [0,1,1,0,0,0|0,0,2]=4 3991 B10R0.29 CCCN(CC)CC(=O)CC 269982a_100000226822_100000747405 [0,1,1,0,0,0|2,0,0]=4 3992 B10R0.29 CCCN(CC)CC(=O)NC 2230a_100000226822_100000183359 [0,1,1,0,0,0|2,0,0]=4 3993 B10R0.29 CCCN(CC)CC(=O)NC 269982a_100000226822_100000183359 [0,1,1,0,0,0|2,0,0]=4 3994 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [0,1,1,0,0,0|2,0,0]=4 3995 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [0,1,1,0,0,0|2,0,0]=4 3996 B10R0.29 CCC[C@@H](CO)NC(=O)CC 240690a_100000732646_100000210414 [0,1,1,0,0,0|2,0,0]=4 3997 B10R0.29 CCC[C@@H](CO)NC(=O)CC 527a_100000732646_100000210414 [0,1,1,0,0,0|2,0,0]=4 3998 B10R0.29 CCC[C@@H](CO)NC(=O)CO 240690a_100000732646_100000210174 [0,1,1,0,0,0|2,0,0]=4 3999 B10R0.29 CCC[C@@H](CO)NC(=O)CO 527a_100000732646_100000210174 [0,1,1,0,0,0|2,0,0]=4 4000 B10R0.29 CCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000732646 [0,1,1,0,0,0|2,0,0]=4 4001 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100000732646_100102657272 [0,1,1,0,0,0|2,0,0]=4 4002 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000732646 [0,1,1,0,0,0|2,0,0]=4 4003 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_100000732646_100102657272 [0,1,1,0,0,0|2,0,0]=4 4004 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_106832991638_100000732646 [0,1,1,0,0,0|2,0,0]=4 4005 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [0,1,1,0,0,0|2,0,0]=4 4006 B10R0.54 CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210202 [0,1,1,0,0,0|1,0,1]=4 4007 B10R0.54 CC[C@H](C)[C@@H](CO)NC(=O)C 240690a_100011827617_100015343762 [0,1,1,0,0,0|2,0,0]=4 4008 B10R0.54 CC[C@H](C)[C@@H](CO)NC(=O)C 527a_100011827617_100103153847 [0,1,1,0,0,0|2,0,0]=4 4009 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [0,1,1,0,0,0|2,0,0]=4 4010 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [0,1,1,0,0,0|2,0,0]=4 4011 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [0,1,1,0,0,0|1,0,0]=3 4012 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [0,1,1,0,0,0|1,0,0]=3 4013 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [0,1,1,0,0,0|1,0,0]=3 4014 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [0,1,1,0,0,0|1,0,0]=3 4015 B10R0.79 CCCC(CCC)OC(C)C 34a_100000212225_200011218217 [0,1,1,0,0,0|1,0,1]=4 4016 B10R0.79 CCCC(CCC)OC(C)C 34a_200011218534_100000210206 [0,1,1,0,0,0|1,0,1]=4 4017 B10R0.79 CCCC(CCC)OC(C)C 7a_200011218534_100000210206 [0,1,1,0,0,0|1,0,1]=4 4018 B10R0.79 CCCN(CCC)CC(=O)C 1458a_200011243382_200000210301 [0,1,1,0,0,0|2,0,0]=4 4019 B10R0.79 CCCN(CCC)CC(=O)[13CH3] 1458a_200011243382_200025704644 [0,1,1,0,0,0|2,0,0]=4 4020 B10R0.79 CCC[C@@H](CCO)NC(=O)C 240690a_100015193777_100015343762 [0,1,1,0,0,0|1,0,0]=3 4021 B10R0.79 CCC[C@@H](CCO)NC(=O)C 527a_100015193777_100103153847 [0,1,1,0,0,0|1,0,0]=3 4022 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000070787_100000210512 [0,1,1,0,0,0|2,0,0]=4 4023 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000082722_200000210301 [0,1,1,0,0,0|2,0,0]=4 4024 B10R0.79 CCOC(CC(=O)[13CH3])OCC 1458a_100000082722_200025704644 [0,1,1,0,0,0|2,0,0]=4 4025 B10R0.79 COCC(COC)NC(=O)C 11a_100011997029_100015343762 [0,1,1,0,0,0|2,0,0]=4 4026 B10R0.79 COCC(COC)NC(=O)C 1626a_100011997029_100015343762 [0,1,1,0,0,0|2,0,0]=4 4027 B10R0.79 COCC(COC)NC(=O)C 240690a_100011997029_100015343762 [0,1,1,0,0,0|2,0,0]=4 4028 B10R0.79 COCC(COC)NC(=O)C 527a_100011997029_100103153847 [0,1,1,0,0,0|2,0,0]=4 4029 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,1,1,0,0,0|1,0,0]=3 4030 B10R0.87 CCCCC(CC)OC(C)C 34a_100000212225_200011216223 [0,1,1,0,0,0|1,0,1]=4 4031 B10R0.87 CCCCC(CC)OC(C)C 34a_100011215227_100000210206 [0,1,1,0,0,0|1,0,1]=4 4032 B10R0.87 CCCCC(CC)OC(C)C 7a_100011215227_100000210206 [0,1,1,0,0,0|1,0,1]=4 4033 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,1,1,0,0,0|2,0,0]=4 4034 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,1,1,0,0,0|2,0,0]=4 4035 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,1,1,0,0,0|2,0,0]=4 4036 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,1,1,0,0,0|2,0,0]=4 4037 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,1,1,0,0,0|2,0,0]=4 4038 B10R0.102 CCCC(C)(CC)OC(C)C 7a_200011215934_100000210206 [0,1,1,0,0,0|1,0,1]=4 4039 B10R0.73 C=CC(=O)C(CCC)CCC 1458a_100000185746_200011218217 [0,1,1,0,0,0|2,0,0]=4 4040 B10R0.73 CCCC(OCC)C(C)CC 34a_100011215975_100000210202 [0,1,1,0,0,0|1,0,1]=4 4041 B10R0.73 CCCC(OCC)C(C)CC 7a_100011215975_100000210202 [0,1,1,0,0,0|1,0,1]=4 4042 B10R0.73 CCCC(OCF)C(C)CC 34a_100011215975_100015361967 [0,1,1,0,0,0|1,0,1]=4 4043 B10R0.73 CCCC(OCF)C(C)CC 7a_100011215975_100015361967 [0,1,1,0,0,0|1,0,1]=4 4044 B10R0.73 CCCN(CC=O)C(C)CC 2230a_200011216551_200015260668 [0,1,1,0,0,0|2,0,0]=4 4045 B10R0.73 CCCN(CC=O)C(C)CC 269982a_200011216551_200015260668 [0,1,1,0,0,0|2,0,0]=4 4046 B10R0.90 C#CCOC(CCC)CCC 34a_100000210247_200011218217 [0,1,1,0,0,0|1,0,1]=4 4047 B10R0.90 C#CCOC(CCC)CCC 34a_200011218534_100000184674 [0,1,1,0,0,0|1,0,1]=4 4048 B10R0.90 C#CCOC(CCC)CCC 7a_200011218534_100000038162 [0,1,1,0,0,0|1,0,1]=4 4049 B10R0.90 C/C=C/C(CCC)OCC=O 34a_200016264281_200009817547 [0,1,1,0,0,0|0,0,2]=4 4050 B10R0.90 C/C=C/C(CCC)OCC=O 7a_200016264281_200015260668 [0,1,1,0,0,0|0,0,2]=4 4051 B10R0.90 C/C=C/C(CCC)OCCC 34a_200016264281_100000210303 [0,1,1,0,0,0|2,0,0]=4 4052 B10R0.90 C/C=C/C(CCC)OCCC 7a_200016264281_100000210303 [0,1,1,0,0,0|2,0,0]=4 4053 B10R0.90 C=CCC(CCC)OCC=O 34a_100011215139_200009817547 [0,1,1,0,0,0|0,0,2]=4 4054 B10R0.90 C=CCC(CCC)OCC=O 7a_100011215139_200015260668 [0,1,1,0,0,0|0,0,2]=4 4055 B10R0.90 C=CCC(CCC)OCCC 34a_100011215139_100000210303 [0,1,1,0,0,0|2,0,0]=4 4056 B10R0.90 C=CCC(CCC)OCCC 7a_100011215139_100000210303 [0,1,1,0,0,0|2,0,0]=4 4057 B10R0.90 C=CCNC(CCC)CCC 2230a_100011207992_100000210623 [0,1,1,0,0,0|2,0,0]=4 4058 B10R0.90 C=CCNC(CCC)CCC 270004a_100020586998_100000210088 [0,1,1,0,0,0|2,0,0]=4 4059 B10R0.90 C=CCNC(CCC)CCC 34a_100011207992_100015514636 [0,1,1,0,0,0|2,0,0]=4 4060 B10R0.90 C=CCOC(CCC)CCC 34a_200000210373_200011218217 [0,1,1,0,0,0|1,0,0]=3 4061 B10R0.90 C=CCOC(CCC)CCC 34a_200011218534_100015514636 [0,1,1,0,0,0|1,0,0]=3 4062 B10R0.90 C=CCOC(CCC)CCC 7a_200011218534_100015514636 [0,1,1,0,0,0|1,0,0]=3 4063 B10R0.90 C=CCSC(CCC)CCC 62a_100000210623_200011218217 [0,1,1,0,0,0|1,1,0]=4 4064 B10R0.90 C=CCSC(CCC)CCC 62a_200011218217_100000210623 [0,1,1,0,0,0|1,1,0]=4 4065 B10R0.90 CCCC(CCC)COCC 34a_200011215456_100000210202 [0,1,1,0,0,0|1,0,1]=4 4066 B10R0.90 CCCC(CCC)COCC 7a_200011215456_100000210202 [0,1,1,0,0,0|1,0,1]=4 4067 B10R0.90 CCCC(CCC)COCF 34a_200011215456_100015361967 [0,1,1,0,0,0|1,0,1]=4 4068 B10R0.90 CCCC(CCC)COCF 7a_200011215456_100015361967 [0,1,1,0,0,0|1,0,1]=4 4069 B10R0.90 CCCC(CCC)NCC=O 2230a_100011207992_200015260668 [0,1,1,0,0,0|1,0,0]=3 4070 B10R0.90 CCCC(CCC)NCC=O 34a_100011207992_200009817547 [0,1,1,0,0,0|1,0,0]=3 4071 B10R0.90 CCCC(CCC)OCC#N 7a_200011218534_100011215382 [0,1,1,0,0,0|1,0,1]=4 4072 B10R0.90 CCCC(CCC)OCC=O 34a_200011218534_200009817547 [0,1,1,0,0,0|0,0,0]=2 4073 B10R0.90 CCCC(CCC)OCC=O 7a_200011218534_200015260668 [0,1,1,0,0,0|0,0,0]=2 4074 B10R0.90 CCCC(CCC)OCCBr 34a_100000211926_200011218217 [0,1,1,0,0,0|1,0,1]=4 4075 B10R0.90 CCCC(CCC)OCCF 34a_200011218534_100011217306 [0,1,1,0,0,0|1,0,1]=4 4076 B10R0.90 CCCC(CCC)OCCF 7a_200011218534_100011217306 [0,1,1,0,0,0|1,0,1]=4 4077 B10R0.90 CCCC(CCC)OCCN 34a_100000210304_200011218217 [0,1,1,0,0,0|1,0,1]=4 4078 B10R0.90 CCCC(CCC)OCCO 34a_200011218534_100000211926 [0,1,1,0,0,0|0,0,2]=4 4079 B10R0.90 CCCC(CCC)OCCO 7a_200011218534_100000211926 [0,1,1,0,0,0|0,0,2]=4 4080 B10R0.90 CCCC(CCC)OCSC 34a_200011218534_100011218213 [0,1,1,0,0,0|0,1,1]=4 4081 B10R0.90 CCCC(CCC)SCC=O 62a_200011218217_200015260668 [0,1,1,0,0,0|0,1,0]=3 4082 B10R0.90 CCCC(CCC)SCC=O 62a_200015260668_200011218217 [0,1,1,0,0,0|0,1,0]=3 4083 B10R0.90 CCCCC(CCC)OCC 34a_100011215800_100000210202 [0,1,1,0,0,0|1,0,1]=4 4084 B10R0.90 CCCCC(CCC)OCC 34a_100121572206_100000211913 [0,1,1,0,0,0|1,0,1]=4 4085 B10R0.90 CCCCC(CCC)OCC 7a_100011215800_100000210202 [0,1,1,0,0,0|1,0,1]=4 4086 B10R0.90 CCCCC(CCC)OCF 34a_100011215800_100015361967 [0,1,1,0,0,0|1,0,1]=4 4087 B10R0.90 CCCCC(CCC)OCF 7a_100011215800_100015361967 [0,1,1,0,0,0|1,0,1]=4 4088 B10R0.90 CCCCN(CC=O)CCC 2230a_200000207744_200015260668 [0,1,1,0,0,0|2,0,0]=4 4089 B10R0.90 CCCCN(CC=O)CCC 269982a_200000207744_200015260668 [0,1,1,0,0,0|2,0,0]=4 4090 B10R0.90 CCCN(CC=O)CCOC 2230a_200011192371_200015260668 [0,1,1,0,0,0|2,0,0]=4 4091 B10R0.90 CCCN(CC=O)CCOC 269982a_200011192371_200015260668 [0,1,1,0,0,0|2,0,0]=4 4092 B10R0.90 CCCOC(CCC)CCC 34a_100000210258_200011218217 [0,1,1,0,0,0|1,0,1]=4 4093 B10R0.90 CCCOC(CCC)CCC 34a_200011218534_100000210303 [0,1,1,0,0,0|1,0,1]=4 4094 B10R0.90 CCCOC(CCC)CCC 7a_200011218534_100000210303 [0,1,1,0,0,0|1,0,1]=4 4095 B10R0.90 CCC[C@@H](CCO)NCC=O 2230a_100015193777_200015260668 [0,1,1,0,0,0|2,0,0]=4 4096 B10R0.90 CCC[C@@H](CCO)NCC=O 34a_100015193777_200009817547 [0,1,1,0,0,0|2,0,0]=4 4097 B10R0.90 COCC(COC)OCC=O 34a_100000766098_200009817547 [0,1,1,0,0,0|2,0,0]=4 4098 B10R0.90 CSCC(CSC)OCC=O 7a_200000036665_200015260668 [0,1,1,0,0,0|2,0,0]=4 4099 B10R0.107 CCCC(C)(CCC)OCC 7a_200011219694_100000210202 [0,1,1,0,0,0|1,0,1]=4 4100 B10R0.107 CCCC(C)(CCC)OCF 7a_200011219694_100015361967 [0,1,1,0,0,0|1,0,1]=4 4101 B10R0.7 CCCC(C)NS(=O)(=O)CC 270084a_100000741246_100000211323 [0,1,1,0,0,0|2,0,0]=4 4102 B10R0.7 CCCC(C)NS(=O)(=O)CC 274078a_100000741246_100000211323 [0,1,1,0,0,0|2,0,0]=4 4103 B10R0.7 CCCC(C)NS(=O)(=O)CC 40a_100000741246_100000053943 [0,1,1,0,0,0|2,0,0]=4 4104 B10R0.7 CCCC(C)OC(C)(C)CC 7a_100000210230_100000766640 [0,1,1,0,0,0|1,0,1]=4 4105 B10R0.7 CCCC(C)OC(C)(C)CC 7a_100000764384_100000210677 [0,1,1,0,0,0|1,0,1]=4 4106 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [0,1,1,0,0,0|2,0,0]=4 4107 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [0,1,1,0,0,0|2,0,0]=4 4108 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [0,1,1,0,0,0|2,0,0]=4 4109 B10R0.18 CCC(C)OC(C)CCCCl 34a_200000718107_100011215416 [0,1,1,0,0,0|1,0,1]=4 4110 B10R0.18 CCC(C)OC(C)CCCCl 7a_200000718107_100000758301 [0,1,1,0,0,0|1,0,1]=4 4111 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,1,1,0,0,0|1,0,0]=3 4112 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,1,1,0,0,0|1,0,0]=3 4113 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,1,1,0,0,0|1,0,0]=3 4114 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,1,1,0,0,0|1,0,0]=3 4115 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,1,0,0,0|2,0,0]=4 4116 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,1,0,0,0|2,0,0]=4 4117 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,1,1,0,0,0|2,0,0]=4 4118 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,1,1,0,0,0|2,0,0]=4 4119 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,1,1,0,0,0|2,0,0]=4 4120 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,1,1,0,0,0|2,0,0]=4 4121 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,1,1,0,0,0|2,0,0]=4 4122 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,1,1,0,0,0|2,0,0]=4 4123 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,1,1,0,0,0|1,0,1]=4 4124 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,1,1,0,0,0|1,0,1]=4 4125 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,1,1,0,0,0|1,0,1]=4 4126 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,1,1,0,0,0|2,0,0]=4 4127 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,1,1,0,0,0|2,0,0]=4 4128 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,1,1,0,0,0|2,0,0]=4 4129 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,1,1,0,0,0|2,0,0]=4 4130 B10R0.18 CCOCC(C)OC(C)CC 34a_100000718985_100011215416 [0,1,1,0,0,0|1,0,1]=4 4131 B10R0.18 CCOCC(C)OC(C)CC 7a_100000718985_100000758301 [0,1,1,0,0,0|1,0,1]=4 4132 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,1,1,0,0,0|1,0,1]=4 4133 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,1,1,0,0,0|1,0,1]=4 4134 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,1,1,0,0,0|1,0,1]=4 4135 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 240690a_100000706166_100000210198 [0,1,1,0,0,0|2,0,0]=4 4136 B10R0.26 CC(C)C(=O)N[C@H](C)CCO 527a_100000706166_100000210198 [0,1,1,0,0,0|2,0,0]=4 4137 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 240690a_100000706166_100000062450 [0,1,1,0,0,0|2,0,0]=4 4138 B10R0.26 CC(F)C(=O)N[C@H](C)CCO 527a_100000706166_100000062450 [0,1,1,0,0,0|2,0,0]=4 4139 B10R0.26 CCCC(=CC(=O)C(C)C)C 1458a_100020676950_100000210206 [0,1,1,0,0,0|1,0,1]=4 4140 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,1,1,0,0,0|1,0,0]=3 4141 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,1,1,0,0,0|1,0,0]=3 4142 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,1,1,0,0,0|1,0,0]=3 4143 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,1,1,0,0,0|2,0,0]=4 4144 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,1,1,0,0,0|2,0,0]=4 4145 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,1,1,0,0,0|2,0,0]=4 4146 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,1,1,0,0,0|2,0,0]=4 4147 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,1,1,0,0,0|2,0,0]=4 4148 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,1,1,0,0,0|1,0,0]=3 4149 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,1,1,0,0,0|1,0,0]=3 4150 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [0,1,1,0,0,0|1,0,0]=3 4151 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [0,1,1,0,0,0|1,0,0]=3 4152 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [0,1,1,0,0,0|1,0,0]=3 4153 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [0,1,1,0,0,0|1,0,0]=3 4154 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [0,1,1,0,0,0|1,0,0]=3 4155 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [0,1,1,0,0,0|1,0,0]=3 4156 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [0,1,1,0,0,0|1,0,0]=3 4157 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [0,1,1,0,0,0|1,0,0]=3 4158 B10R0.26 CCCC(C)NC(=O)C(F)F 11a_100000741246_100000210393 [0,1,1,0,0,0|2,0,0]=4 4159 B10R0.26 CCCC(C)NC(=O)C(F)F 1626a_100000741246_100000210393 [0,1,1,0,0,0|2,0,0]=4 4160 B10R0.26 CCCC(C)NC(=O)C(F)F 240690a_100000741246_100000210393 [0,1,1,0,0,0|2,0,0]=4 4161 B10R0.26 CCCC(C)NC(=O)C(F)F 527a_100000741246_100000210393 [0,1,1,0,0,0|2,0,0]=4 4162 B10R0.26 CCCC(C)NC(=O)C(O)O 240690a_100000741246_100000233687 [0,1,1,0,0,0|2,0,0]=4 4163 B10R0.26 CCCC(C)NC(=O)N(C)C 2708a_100000741246_100102631434 [0,1,1,0,0,0|2,0,0]=4 4164 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,1,1,0,0,0|1,0,0]=3 4165 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,1,1,0,0,0|1,0,0]=3 4166 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,1,1,0,0,0|1,0,0]=3 4167 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,1,1,0,0,0|1,0,1]=4 4168 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [0,1,1,0,0,0|2,0,0]=4 4169 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [0,1,1,0,0,0|2,0,0]=4 4170 B10R0.26 CCSC(C)CC(=O)C(C)C 1458a_200011311441_100000210206 [0,1,1,0,0,0|2,0,0]=4 4171 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 11a_100000764878_100000210198 [0,1,1,0,0,0|2,0,0]=4 4172 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 1626a_100000764878_100000210198 [0,1,1,0,0,0|2,0,0]=4 4173 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 240690a_100000764878_100000210198 [0,1,1,0,0,0|2,0,0]=4 4174 B10R0.26 COC[C@@H](C)NC(=O)C(C)C 527a_100000764878_100000210198 [0,1,1,0,0,0|2,0,0]=4 4175 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 11a_100000764878_100000062450 [0,1,1,0,0,0|2,0,0]=4 4176 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 1626a_100000764878_100000062450 [0,1,1,0,0,0|2,0,0]=4 4177 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 240690a_100000764878_100000062450 [0,1,1,0,0,0|2,0,0]=4 4178 B10R0.26 COC[C@@H](C)NC(=O)C(C)F 527a_100000764878_100000062450 [0,1,1,0,0,0|2,0,0]=4 4179 B10R0.26 COC[C@@H](C)NC(=O)[C@@H](C)O 240690a_100000764878_100000717761 [0,1,1,0,0,0|2,0,0]=4 4180 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 1626a_100000764878_217856618621 [0,1,1,0,0,0|2,0,0]=4 4181 B10R0.26 COC[C@@H](C)NC(=O)[C@H](C)O 240690a_100000764878_217856618621 [0,1,1,0,0,0|2,0,0]=4 4182 B10R0.26 C[C@H](CCO)NC(=O)[C@@H](C)O 240690a_100000706166_100000717761 [0,1,1,0,0,0|2,0,0]=4 4183 B10R0.26 C[C@H](CCO)NC(=O)[C@H](C)O 240690a_100000706166_217856618621 [0,1,1,0,0,0|2,0,0]=4 4184 B10R0.34 C#CC(CC)OC(C)CCC 34a_100000758843_100000766640 [0,1,1,0,0,0|1,0,1]=4 4185 B10R0.34 C#CC(CC)OC(C)CCC 7a_100000758843_100000766640 [0,1,1,0,0,0|1,0,1]=4 4186 B10R0.34 C=CC(CC)OC(C)CCC 34a_100000766422_100000766640 [0,1,1,0,0,0|1,0,1]=4 4187 B10R0.34 C=CC(CC)OC(C)CCC 7a_100000766422_100000766640 [0,1,1,0,0,0|1,0,1]=4 4188 B10R0.34 CCCC(C)OC(CC)CC 7a_100000688536_100000766640 [0,1,1,0,0,0|1,0,1]=4 4189 B10R0.34 CCCC(C)OC(CC)CC 7a_100000764384_100000210505 [0,1,1,0,0,0|1,0,1]=4 4190 B10R0.35 CCC(=O)N(C)C(C)CCO 240690a_100000731037_100000210414 [0,1,1,0,0,0|2,0,0]=4 4191 B10R0.35 CCC(=O)N(C)C(C)CCO 527a_100000731037_100000210414 [0,1,1,0,0,0|2,0,0]=4 4192 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,1,1,0,0,0|2,0,0]=4 4193 B10R0.35 CCCN(C)C(C)C(=O)CC 2230a_100000747261_100000742827 [0,1,1,0,0,0|2,0,0]=4 4194 B10R0.35 CCCN(C)C(C)C(=O)CC 269982a_100000747261_100000742827 [0,1,1,0,0,0|2,0,0]=4 4195 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [0,1,1,0,0,0|2,0,0]=4 4196 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [0,1,1,0,0,0|2,0,0]=4 4197 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [0,1,1,0,0,0|2,0,0]=4 4198 B10R0.44 CCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747405 [0,1,1,0,0,0|2,0,0]=4 4199 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [0,1,1,0,0,0|1,0,0]=3 4200 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [0,1,1,0,0,0|1,0,0]=3 4201 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [0,1,1,0,0,0|1,0,0]=3 4202 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [0,1,1,0,0,0|1,0,0]=3 4203 B10R0.44 CCC(=O)NC(C)CN(C)C 11a_100016992788_100000210414 [0,1,1,0,0,0|2,0,0]=4 4204 B10R0.44 CCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210414 [0,1,1,0,0,0|2,0,0]=4 4205 B10R0.44 CCC(=O)NC(C)CN(C)C 527a_100016992788_100000210414 [0,1,1,0,0,0|2,0,0]=4 4206 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,1,1,0,0,0|1,0,1]=4 4207 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,1,1,0,0,0|1,0,1]=4 4208 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,1,1,0,0,0|1,0,1]=4 4209 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [0,1,1,0,0,0|2,0,0]=4 4210 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [0,1,1,0,0,0|2,0,0]=4 4211 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [0,1,1,0,0,0|2,0,0]=4 4212 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [0,1,1,0,0,0|2,0,0]=4 4213 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [0,1,1,0,0,0|2,0,0]=4 4214 B10R0.46 CCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210202 [0,1,1,0,0,0|2,0,0]=4 4215 B10R0.46 CCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747405 [0,1,1,0,0,0|2,0,0]=4 4216 B10R0.46 CCC(=O)NC(C)C(=O)CC 1458a_100000194823_100000210202 [0,1,1,0,0,0|1,0,1]=4 4217 B10R0.46 CCC(C)OC(C)C(C)CC 7a_100011215189_100000758301 [0,1,1,0,0,0|1,0,1]=4 4218 B10R0.148 CCC(=O)NC(C)(C)CCO 240690a_100000763138_100000210414 [0,1,1,0,0,0|2,0,0]=4 4219 B10R0.148 CCC(=O)NC(C)(C)CCO 527a_100000763138_100000210414 [0,1,1,0,0,0|2,0,0]=4 4220 B10R0.148 CCC(=O)NC(C)(C)COC 11a_100000752728_100000210414 [0,1,1,0,0,0|2,0,0]=4 4221 B10R0.148 CCC(=O)NC(C)(C)COC 1626a_100000752728_100000210414 [0,1,1,0,0,0|2,0,0]=4 4222 B10R0.148 CCC(=O)NC(C)(C)COC 240690a_100000752728_100000210414 [0,1,1,0,0,0|2,0,0]=4 4223 B10R0.148 CCC(=O)NC(C)(C)COC 527a_100000752728_100000210414 [0,1,1,0,0,0|2,0,0]=4 4224 B10R0.148 CCC(=O)NC(C)(C)CSC 11a_100000759623_100000210414 [0,1,1,0,0,0|2,0,0]=4 4225 B10R0.148 CCC(=O)NC(C)(C)CSC 1626a_100000759623_100000210414 [0,1,1,0,0,0|2,0,0]=4 4226 B10R0.148 CCC(=O)NC(C)(C)CSC 240690a_100000759623_100000210414 [0,1,1,0,0,0|2,0,0]=4 4227 B10R0.148 CCC(=O)NC(C)(C)CSC 527a_100000759623_100000210414 [0,1,1,0,0,0|2,0,0]=4 4228 B10R0.148 CCCC(C)(C)OC(C)CC 7a_100000748436_100000758301 [0,1,1,0,0,0|1,0,1]=4 4229 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [0,1,1,0,0,0|1,0,0]=3 4230 B10R0.148 CCCC(C)(O)CC(=O)CF 1458a_100011667670_100015361967 [0,1,1,0,0,0|2,0,0]=4 4231 B10R0.148 CCCC(C)(O)CC(=O)NC 240690a_100102657272_100011667670 [0,1,1,0,0,0|2,0,0]=4 4232 B10R0.148 CCCC(C)(O)CC(=O)NC 527a_100102657272_100011667670 [0,1,1,0,0,0|2,0,0]=4 4233 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [1,1,0,0,0,0|1,0,1]=4 4234 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [1,1,0,0,0,0|1,0,1]=4 4235 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,1,0,0,0,0|1,0,1]=4 4236 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,1,0,0,0,0|1,0,1]=4 4237 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,1,0,0,0,0|1,0,1]=4 4238 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,1,0,0,0,0|1,0,1]=4 4239 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,1,0,0,0,0|1,0,1]=4 4240 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,1,0,0,0,0|1,0,1]=4 4241 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [1,1,0,0,0,0|1,0,1]=4 4242 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [1,1,0,0,0,0|0,0,2]=4 4243 B10R1.15 CCN(C)C1C=CCCC1 2230a_100000225621_100000751183 [1,1,0,0,0,0|2,0,0]=4 4244 B10R1.15 CCN(C)C1C=CCCC1 269982a_100000225621_100000751183 [1,1,0,0,0,0|2,0,0]=4 4245 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [1,1,0,0,0,0|1,0,1]=4 4246 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [1,1,0,0,0,0|1,0,1]=4 4247 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [1,1,0,0,0,0|1,0,1]=4 4248 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [1,1,0,0,0,0|2,0,0]=4 4249 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [1,1,0,0,0,0|2,0,0]=4 4250 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [1,1,0,0,0,0|2,0,0]=4 4251 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [1,1,0,0,0,0|2,0,0]=4 4252 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [1,1,0,0,0,0|1,0,0]=3 4253 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [1,1,0,0,0,0|1,0,1]=4 4254 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,1,0,0,0,0|1,0,1]=4 4255 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,1,0,0,0,0|1,0,1]=4 4256 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,1,0,0,0,0|1,0,1]=4 4257 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [1,1,0,0,0,0|0,0,1]=3 4258 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [1,1,0,0,0,0|2,0,0]=4 4259 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [1,1,0,0,0,0|2,0,0]=4 4260 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [1,1,0,0,0,0|2,0,0]=4 4261 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [1,1,0,0,0,0|1,0,0]=3 4262 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [1,1,0,0,0,0|1,0,0]=3 4263 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [1,1,0,0,0,0|1,0,1]=4 4264 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [1,1,0,0,0,0|1,0,1]=4 4265 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [1,1,0,0,0,0|2,0,0]=4 4266 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [1,1,0,0,0,0|1,0,1]=4 4267 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,1,0,0,0,0|1,0,1]=4 4268 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,1,0,0,0,0|1,0,1]=4 4269 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,1,0,0,0,0|1,0,1]=4 4270 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,1,0,0,0,0|1,0,1]=4 4271 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [1,1,0,0,0,0|0,0,1]=3 4272 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [1,1,0,0,0,0|0,0,1]=3 4273 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [1,1,0,0,0,0|0,0,1]=3 4274 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [1,1,0,0,0,0|2,0,0]=4 4275 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [1,1,0,0,0,0|2,0,0]=4 4276 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [1,1,0,0,0,0|2,0,0]=4 4277 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [1,1,0,0,0,0|1,0,1]=4 4278 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [1,1,0,0,0,0|1,0,1]=4 4279 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [1,1,0,0,0,0|1,0,1]=4 4280 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [1,1,0,0,0,0|0,0,1]=3 4281 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,1,0,0,0,0|1,0,1]=4 4282 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,1,0,0,0,0|1,0,1]=4 4283 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,1,0,0,0,0|1,0,1]=4 4284 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,1,0,0,0,0|1,0,1]=4 4285 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,1,0,0,0,0|0,0,1]=3 4286 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,1,0,0,0,0|0,0,1]=3 4287 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,1,0,0,0,0|0,0,1]=3 4288 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [1,1,0,0,0,0|2,0,0]=4 4289 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [1,1,0,0,0,0|2,0,0]=4 4290 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [1,1,0,0,0,0|2,0,0]=4 4291 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [1,1,0,0,0,0|1,0,1]=4 4292 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [1,1,0,0,0,0|1,0,1]=4 4293 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,1,0,0,0,0|1,0,1]=4 4294 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,1,0,0,0,0|1,0,1]=4 4295 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [1,1,0,0,0,0|0,0,1]=3 4296 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [1,1,0,0,0,0|0,0,1]=3 4297 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [1,1,0,0,0,0|2,0,0]=4 4298 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [1,1,0,0,0,0|2,0,0]=4 4299 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,1,0,0,0,0|1,0,1]=4 4300 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,1,0,0,0,0|1,0,1]=4 4301 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,1,0,0,0,0|1,0,1]=4 4302 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,1,0,0,0,0|1,0,1]=4 4303 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,1,0,0,0,0|1,0,1]=4 4304 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,1,0,0,0,0|1,0,1]=4 4305 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,1,0,0,0,0|0,0,1]=3 4306 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,1,0,0,0,0|0,0,1]=3 4307 B10R1.17 CNCCC1OCCCO1 2230a_106832991635_100000764188 [1,1,0,0,0,0|1,0,1]=4 4308 B10R1.17 CNCCC1OCCCO1 34a_100102657272_100000764188 [1,1,0,0,0,0|1,0,1]=4 4309 B10R1.17 CNCCC1OCCCO1 7a_106832991635_100000764188 [1,1,0,0,0,0|1,0,1]=4 4310 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,1,0,0,0,0|1,0,1]=4 4311 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,1,0,0,0,0|1,0,1]=4 4312 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,1,0,0,0,0|1,0,1]=4 4313 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [1,1,0,0,0,0|1,0,1]=4 4314 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [1,1,0,0,0,0|2,0,0]=4 4315 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [1,1,0,0,0,0|1,0,1]=4 4316 B10R1.17 COCSC1C=CCCC1 62a_100000751183_100000766300 [1,1,0,0,0,0|2,0,0]=4 4317 B10R1.17 COCSC1C=CCCC1 62a_100000766300_100000751183 [1,1,0,0,0,0|2,0,0]=4 4318 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,1,0,0,0,0|1,0,1]=4 4319 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,1,0,0,0,0|1,0,1]=4 4320 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [1,1,0,0,0,0|1,0,1]=4 4321 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [1,1,0,0,0,0|1,0,1]=4 4322 B10R1.17 CSCOC1C=CCCC1 34a_100011215024_100011218213 [1,1,0,0,0,0|2,0,0]=4 4323 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [1,1,0,0,0,0|1,0,1]=4 4324 B10R1.17 CSCSC1C=CCCC1 62a_100000751183_100011218213 [1,1,0,0,0,0|2,0,0]=4 4325 B10R1.17 CSCSC1C=CCCC1 62a_100011218213_100000751183 [1,1,0,0,0,0|2,0,0]=4 4326 B10R1.17 FCCOC1C=CCCC1 34a_100011215024_100011217306 [1,1,0,0,0,0|2,0,0]=4 4327 B10R1.17 FCCOC1CCCCO1 34a_100000033831_100011217306 [1,1,0,0,0,0|1,0,1]=4 4328 B10R1.17 FCCSC1C=CCCC1 62a_100000751183_100011217306 [1,1,0,0,0,0|2,0,0]=4 4329 B10R1.17 FCCSC1C=CCCC1 62a_100011217306_100000751183 [1,1,0,0,0,0|2,0,0]=4 4330 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [1,1,0,0,0,0|1,0,1]=4 4331 B10R1.17 FCOCC1CCC=CO1 34a_100011217868_100015361967 [1,1,0,0,0,0|1,0,1]=4 4332 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [1,1,0,0,0,0|1,0,1]=4 4333 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [1,1,0,0,0,0|1,0,1]=4 4334 B10R1.17 FCSCC1CCCCO1 62a_100000211543_100015361967 [1,1,0,0,0,0|1,0,1]=4 4335 B10R1.17 FCSCC1CCCCO1 62a_100015361967_100000211543 [1,1,0,0,0,0|1,0,1]=4 4336 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [1,1,0,0,0,0|2,0,0]=4 4337 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [1,1,0,0,0,0|2,0,0]=4 4338 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [1,1,0,0,0,0|1,0,1]=4 4339 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [1,1,0,0,0,0|2,0,0]=4 4340 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [1,1,0,0,0,0|2,0,0]=4 4341 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,1,0,0,0,0|1,0,1]=4 4342 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,1,0,0,0,0|1,0,1]=4 4343 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,1,0,0,0,0|0,0,1]=3 4344 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,1,0,0,0,0|0,0,1]=3 4345 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,1,0,0,0,0|1,0,1]=4 4346 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,1,0,0,0,0|1,0,1]=4 4347 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [1,1,0,0,0,0|1,0,1]=4 4348 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [1,1,0,0,0,0|2,0,0]=4 4349 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,1,0,0,0,0|1,0,1]=4 4350 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,1,0,0,0,0|1,0,1]=4 4351 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [1,1,0,0,0,0|1,0,1]=4 4352 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [1,1,0,0,0,0|1,0,1]=4 4353 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,1,0,0,0,0|0,0,2]=4 4354 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,1,0,0,0,0|0,0,2]=4 4355 B10R1.18 CC(C)NC1C=CCCC1 2230a_100138425928_100000751183 [1,1,0,0,0,0|2,0,0]=4 4356 B10R1.18 CC(C)OC1C=CCCC1 34a_100011215024_100000210206 [1,1,0,0,0,0|2,0,0]=4 4357 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [1,1,0,0,0,0|1,0,1]=4 4358 B10R1.18 CC(C)SC1C=CCCC1 62a_100000210206_100000751183 [1,1,0,0,0,0|2,0,0]=4 4359 B10R1.18 CC(C)SC1C=CCCC1 62a_100000751183_100000210206 [1,1,0,0,0,0|2,0,0]=4 4360 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [1,1,0,0,0,0|1,0,1]=4 4361 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [1,1,0,0,0,0|1,0,1]=4 4362 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [1,1,0,0,0,0|1,0,1]=4 4363 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [1,1,0,0,0,0|1,0,1]=4 4364 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [1,1,0,0,0,0|1,0,1]=4 4365 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [1,1,0,0,0,0|1,0,1]=4 4366 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [1,1,0,0,0,0|1,0,1]=4 4367 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [1,1,0,0,0,0|1,0,1]=4 4368 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,1,0,0,0,0|0,0,2]=4 4369 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,0,1,0|1,0,1]=4 4370 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,0,1,0|0,0,1]=3 4371 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,1,0,0,1,0|1,0,1]=4 4372 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,1,0,0,1,0|1,0,1]=4 4373 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,1,0,0,1,0|1,0,1]=4 4374 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,1,0,0,1,0|1,0,1]=4 4375 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,0,1,0|1,0,1]=4 4376 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,0,1,0|2,0,0]=4 4377 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,0,1,0|1,0,0]=3 4378 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,0,1,0|2,0,0]=4 4379 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,0,1,0|1,0,0]=3 4380 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,0,1,0|1,0,0]=3 4381 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,0,1,0|2,0,0]=4 4382 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,0,1,0|2,0,0]=4 4383 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,0,1,0|1,0,0]=3 4384 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,0,1,0|1,0,0]=3 4385 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,0,1,0|1,0,0]=3 4386 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,0,1,0|1,0,0]=3 4387 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,0,1,0|2,0,0]=4 4388 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,0,1,0|1,0,0]=3 4389 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,0,1,0|2,0,0]=4 4390 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,0,1,0|1,0,0]=3 4391 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,0,1,0|1,0,0]=3 4392 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,0,1,0|1,0,0]=3 4393 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,0,1,0|2,0,0]=4 4394 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,0,1,0|1,0,0]=3 4395 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,0,1,0|1,0,0]=3 4396 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,0,1,0|1,0,0]=3 4397 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,0,1,0|1,0,0]=3 4398 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,0,1,0|1,0,0]=3 4399 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,0,1,0|1,0,0]=3 4400 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,0,1,0|2,0,0]=4 4401 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,0,1,0|2,0,0]=4 4402 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,1,0,0,1,0|2,0,0]=4 4403 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,1,0,0,1,0|2,0,0]=4 4404 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,1,0,0,1,0|2,0,0]=4 4405 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,0,1,0|2,0,0]=4 4406 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,1,0,0,1,0|2,0,0]=4 4407 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,1,0,0,1,0|2,0,0]=4 4408 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,0,1,0|2,0,0]=4 4409 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,0,1,0|2,0,0]=4 4410 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,1,0,0,1,0|2,0,0]=4 4411 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,1,0,0,1,0|2,0,0]=4 4412 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,0,1,0|2,0,0]=4 4413 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,0,1,0|2,0,0]=4 4414 B10R1.16 O=C1NCC(O1)COCF 34a_100011315639_100015361967 [0,1,0,0,1,0|2,0,0]=4 4415 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,1,0,0,1,0|2,0,0]=4 4416 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,1,0,0,1,0|2,0,0]=4 4417 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,1,0,0,1,0|2,0,0]=4 4418 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,1,0,0,1,0|2,0,0]=4 4419 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,1,0,0,1,0|2,0,0]=4 4420 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,1,0,0,1,0|2,0,0]=4 4421 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,1,0,0,1,0|2,0,0]=4 4422 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,1,0,0,1,0|2,0,0]=4 4423 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,1,0,0,1,0|2,0,0]=4 4424 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,1,0,0,1,0|2,0,0]=4 4425 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,0,1,0|1,0,1]=4 4426 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,1,0,0,1,0|1,0,1]=4 4427 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,0,1,0|1,0,1]=4 4428 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,0,1,0|1,0,1]=4 4429 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,1,0,0,1,0|2,0,0]=4 4430 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,1,0,0,1,0|2,0,0]=4 4431 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,1,0,0,1,0|2,0,0]=4 4432 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,1,0,0,1,0|2,0,0]=4 4433 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [0,1,0,0,1,0|2,0,0]=4 4434 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [0,1,0,0,1,0|2,0,0]=4 4435 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,1,0,0,1,0|2,0,0]=4 4436 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,1,0,0,1,0|2,0,0]=4 4437 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,1,0,0,1,0|2,0,0]=4 4438 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,0,1,0|1,0,1]=4 4439 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [0,1,0,0,1,0|1,0,1]=4 4440 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [0,1,0,0,1,0|1,0,1]=4 4441 B10R1.29 C#CCNC1CCCC1=O 34a_100000212058_100000709159 [0,1,0,0,1,0|0,0,2]=4 4442 B10R1.29 C#CCOC1CCCC1=O 34a_100000210247_100000709159 [0,1,0,0,1,0|0,0,2]=4 4443 B10R1.29 C#CCOC1CCCC1=O 34a_200000719330_100000184674 [0,1,0,0,1,0|0,0,2]=4 4444 B10R1.29 C#CCSC1CCCC1=O 62a_100000038162_100000211823 [0,1,0,0,1,0|0,0,2]=4 4445 B10R1.29 C=CCNC1CCCC1=O 2230a_100020586998_100000211823 [0,1,0,0,1,0|0,0,2]=4 4446 B10R1.29 C=CCOC1CCCC1=O 34a_200000210373_100000709159 [0,1,0,0,1,0|0,0,2]=4 4447 B10R1.29 C=CCOC1CCCC1=O 34a_200000719330_100015514636 [0,1,0,0,1,0|0,0,2]=4 4448 B10R1.29 C=CCSC1CCCC1=O 62a_100000210623_100000211823 [0,1,0,0,1,0|0,0,2]=4 4449 B10R1.29 C=CCSC1CCCC1=O 62a_100000211823_100000210623 [0,1,0,0,1,0|0,0,2]=4 4450 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,1,0,0,1,0|1,0,1]=4 4451 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,0,1,0|1,0,0]=3 4452 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,0,1,0|1,0,0]=3 4453 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,0,1,0|2,0,0]=4 4454 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,0,1,0|2,0,0]=4 4455 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,0,1,0|0,0,0]=2 4456 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,0,1,0|0,0,0]=2 4457 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,1,0,0,1,0|1,0,1]=4 4458 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,1,0,0,1,0|1,0,1]=4 4459 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,0,1,0|1,0,0]=3 4460 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,1,0,0,1,0|1,0,1]=4 4461 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,1,0,0,1,0|1,0,1]=4 4462 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,0,1,0|1,0,0]=3 4463 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,0,1,0|0,0,0]=2 4464 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,0,1,0|0,0,0]=2 4465 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,0,1,0|1,0,0]=3 4466 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,0,1,0|1,0,0]=3 4467 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,1,0,0,1,0|0,0,2]=4 4468 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,1,0,0,1,0|0,0,2]=4 4469 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,1,0,0,1,0|0,0,2]=4 4470 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [0,1,0,0,1,0|2,0,0]=4 4471 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,0,1,0|1,0,0]=3 4472 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,1,0,0,1,0|1,0,0]=3 4473 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,1,0,0,1,0|1,0,0]=3 4474 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [0,1,0,0,1,0|2,0,0]=4 4475 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [0,1,0,0,1,0|2,0,0]=4 4476 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [0,1,0,0,1,0|2,0,0]=4 4477 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [0,1,0,0,1,0|2,0,0]=4 4478 B10R1.29 CNCCC1CCCN1C 2230a_106832991635_100000005710 [0,1,0,0,1,0|2,0,0]=4 4479 B10R1.29 CNCCC1CCCN1C 34a_100102657272_100000005710 [0,1,0,0,1,0|2,0,0]=4 4480 B10R1.29 CNCCC1CCCN1C 7a_106832991635_100000005710 [0,1,0,0,1,0|2,0,0]=4 4481 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,1,0,0,1,0|1,0,0]=3 4482 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,1,0,0,1,0|1,0,0]=3 4483 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,1,0,0,1,0|1,0,0]=3 4484 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,1,0,0,1,0|1,0,0]=3 4485 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,1,0,0,1,0|2,0,0]=4 4486 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,1,0,0,1,0|2,0,0]=4 4487 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,1,0,0,1,0|2,0,0]=4 4488 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [0,1,0,0,1,0|2,0,0]=4 4489 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [0,1,0,0,1,0|2,0,0]=4 4490 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [0,1,0,0,1,0|2,0,0]=4 4491 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,1,0,0,1,0|1,0,0]=3 4492 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,1,0,0,1,0|1,0,0]=3 4493 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,1,0,0,1,0|1,0,0]=3 4494 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,1,0,0,1,0|2,0,0]=4 4495 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [0,1,0,0,1,0|2,0,0]=4 4496 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,1,0,0,1,0|1,0,0]=3 4497 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,1,0,0,1,0|1,0,0]=3 4498 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,0,1,0|2,0,0]=4 4499 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,0,1,0|2,0,0]=4 4500 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [0,1,0,0,1,0|2,0,0]=4 4501 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [0,1,0,0,1,0|2,0,0]=4 4502 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,1,0,0,1,0|1,0,0]=3 4503 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,1,0,0,1,0|1,0,0]=3 4504 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,1,0,0,1,0|2,0,0]=4 4505 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,1,0,0,1,0|2,0,0]=4 4506 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,1,0,0,1,0|2,0,0]=4 4507 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,1,0,0,1,0|2,0,0]=4 4508 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,1,0,0,1,0|1,0,0]=3 4509 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,1,0,0,1,0|2,0,0]=4 4510 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,1,0,0,1,0|1,0,0]=3 4511 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,1,0,0,1,0|1,0,0]=3 4512 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,0,1,0|2,0,0]=4 4513 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,0,1,0|2,0,0]=4 4514 B10R1.29 N#CCSC1CCCC1=O 62a_100000211823_100011215382 [0,1,0,0,1,0|1,0,1]=4 4515 B10R1.29 N#CCSC1CCCC1=O 62a_100011215382_100000211823 [0,1,0,0,1,0|1,0,1]=4 4516 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,1,0,0,1,0|1,0,0]=3 4517 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,0,1,0|2,0,0]=4 4518 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,1,0,0,1,0|1,0,0]=3 4519 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,1,0,0,1,0|1,0,0]=3 4520 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,1,0,0,1,0|1,0,0]=3 4521 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,1,0,0,1,0|1,0,0]=3 4522 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,1,0,0,1,0|1,0,0]=3 4523 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,1,0,0,1,0|1,0,0]=3 4524 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,1,0,0,1,0|1,0,0]=3 4525 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,1,0,0,1,0|1,0,0]=3 4526 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,1,0,0,1,0|1,0,0]=3 4527 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,1,0,0,1,0|1,0,0]=3 4528 B10R1.29 O=C1CCCN1CSCF 62a_100000026320_100015361967 [0,1,0,0,1,0|2,0,0]=4 4529 B10R1.29 O=C1CCCN1CSCF 62a_100015361967_100000026320 [0,1,0,0,1,0|2,0,0]=4 4530 B10R1.29 O=C1NCCC1COCF 34a_100000133458_100015361967 [0,1,0,0,1,0|2,0,0]=4 4531 B10R1.29 O=C1NCCC1NCCF 2230a_100016995588_100011217306 [0,1,0,0,1,0|2,0,0]=4 4532 B10R1.29 O=C1NCCC1NCCF 34a_100016995588_100011217306 [0,1,0,0,1,0|2,0,0]=4 4533 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [0,1,0,0,1,0|2,0,0]=4 4534 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [0,1,0,0,1,0|2,0,0]=4 4535 B10R1.29 O=C1NCC[C@@H]1OCCF 34a_100000688343_100011217306 [0,1,0,0,1,0|2,0,0]=4 4536 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [0,1,0,0,1,0|2,0,0]=4 4537 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,1,0,0,1,0|2,0,0]=4 4538 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,0,1,0|2,0,0]=4 4539 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,0,1,0|2,0,0]=4 4540 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,0,1,0|2,0,0]=4 4541 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,1,0,0,1,0|2,0,0]=4 4542 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,1,0,0,1,0|2,0,0]=4 4543 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,0,1,0|2,0,0]=4 4544 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,0,1,0|2,0,0]=4 4545 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [0,1,0,0,1,0|1,0,1]=4 4546 B10R1.29 O=CCSC1CCCC1=O 62a_100000211823_200015260668 [0,1,0,0,1,0|1,0,1]=4 4547 B10R1.29 O=CCSC1CCCC1=O 62a_200015260668_100000211823 [0,1,0,0,1,0|1,0,1]=4 4548 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,1,0,0,1,0|1,0,0]=3 4549 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,1,0,0,1,0|2,0,0]=4 4550 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,1,0,0,1,0|1,0,0]=3 4551 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,1,0,0,1,0|1,0,0]=3 4552 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,1,0,0,1,0|2,0,0]=4 4553 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,1,0,0,1,0|1,0,0]=3 4554 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,1,0,0,1,0|1,0,0]=3 4555 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,1,0,0,1,0|2,0,0]=4 4556 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,1,0,0,1,0|2,0,0]=4 4557 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,1,0,0,1,0|1,0,1]=4 4558 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [0,1,0,0,1,0|2,0,0]=4 4559 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [0,1,0,0,1,0|2,0,0]=4 4560 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [0,1,0,0,1,0|2,0,0]=4 4561 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [0,1,0,0,1,0|2,0,0]=4 4562 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [0,1,0,0,1,0|2,0,0]=4 4563 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [0,1,0,0,1,0|2,0,0]=4 4564 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,1,0,0,1,0|1,0,0]=3 4565 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,1,0,0,1,0|1,0,0]=3 4566 B10R1.64 CC(C)NC1CCNC1=O 2230a_100016995588_100000210206 [0,1,0,0,1,0|2,0,0]=4 4567 B10R1.64 CC(C)NC1CCNC1=O 34a_100016995588_100000210206 [0,1,0,0,1,0|2,0,0]=4 4568 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,1,0,0,1,0|2,0,0]=4 4569 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,1,0,0,1,0|2,0,0]=4 4570 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,1,0,0,1,0|1,0,0]=3 4571 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,1,0,0,1,0|1,0,0]=3 4572 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,1,0,0,1,0|2,0,0]=4 4573 B10R1.64 CC(C)O[C@H]1CCNC1=O 34a_100000688343_100000210206 [0,1,0,0,1,0|2,0,0]=4 4574 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,1,0,0,1,0|1,0,0]=3 4575 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,1,0,0,1,0|1,0,0]=3 4576 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,1,0,0,1,0|2,0,0]=4 4577 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,1,0,0,1,0|2,0,0]=4 4578 B10R1.64 CN(C)CN1CCCC1=O 269982a_100102631434_100000026320 [0,1,0,0,1,0|2,0,0]=4 4579 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,1,0,0,1,0|1,0,1]=4 4580 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,0,1,0|0,0,1]=3 4581 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,0,1,0|1,0,1]=4 4582 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [0,1,0,0,1,0|1,0,0]=3 4583 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [0,1,0,0,1,0|1,0,0]=3 4584 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,0,1,0|2,0,0]=4 4585 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,0,1,0|2,0,0]=4 4586 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,0,1,0|1,0,1]=4 4587 B10R1.187 CCNC1C(=O)CCC1=O 2230a_100015525214_100009820769 [0,1,0,0,1,0|1,0,1]=4 4588 B10R1.187 CCSC1C(=O)CCC1=O 62a_100000210202_100009820769 [0,1,0,0,1,0|1,0,1]=4 4589 B10R1.187 CCSC1C(=O)CCC1=O 62a_100009820769_100000210202 [0,1,0,0,1,0|1,0,1]=4 4590 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,1,0,0,0,1|2,0,0]=4 4591 B12R1.321 COCCN1CCCNC(=O)C1 2230a_100015190381_100011201679 [0,1,0,0,0,1|2,0,0]=4 4592 B12R1.321 CSCCN1CCCNC(=O)C1 2230a_100015190381_100000751147 [0,1,0,0,0,1|2,0,0]=4 4593 B12R1.321 O=C1CN(CCCN1)CCCF 2230a_100015190381_100011934791 [0,1,0,0,0,1|2,0,0]=4 4594 B12R1.321 O=C1CN(CCCN1)CCCO 2230a_100015190381_100000230001 [0,1,0,0,0,1|2,0,0]=4 4595 B12R1.874 CC(C)CN1CCCNC(=O)C1 2230a_100015190381_100000210760 [0,1,0,0,0,1|2,0,0]=4 4596 B12R1.874 CC(C)CN1CCCNC(=O)C1 270004a_100015190381_100000210432 [0,1,0,0,0,1|2,0,0]=4 4597 B12R1.874 CC(O)CN1CCCNC(=O)C1 2230a_100015190381_100011218427 [0,1,0,0,0,1|2,0,0]=4 4598 B12R1.874 C[C@@H](O)CN1CCCNC(=O)C1 2230a_100015190381_100009817552 [0,1,0,0,0,1|2,0,0]=4 4599 B12R1.1445 CCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210303 [0,1,0,0,0,1|2,0,0]=4 4600 B12R1.1445 CCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210303 [0,1,0,0,0,1|2,0,0]=4 4601 B12R1.1445 CCCN1CCCN(C(=O)C1)C 34a_100000709885_100000210303 [0,1,0,0,0,1|2,0,0]=4 4602 B12R1.1657 CCC(C)N1CCCNC(=O)C1 2230a_100015190381_100000758301 [0,1,0,0,0,1|2,0,0]=4 4603 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,2,0,0,0,0|1,0,0]=3 4604 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,2,0,0,0,0|1,0,0]=3 4605 B12R1.25 CN1C(=O)CCCC1CNCF 34a_200010383782_100015361967 [0,2,0,0,0,0|2,0,0]=4 4606 B12R1.17 CCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210303 [0,2,0,0,0,0|2,0,0]=4 4607 B12R1.17 CCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210303 [0,2,0,0,0,0|2,0,0]=4 4608 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [0,2,0,0,0,0|1,0,0]=3 4609 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 240690a_100015525214_100000705292 [0,2,0,0,0,0|1,0,1]=4 4610 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 527a_100015525214_100000705292 [0,2,0,0,0,0|1,0,1]=4 4611 B12R1.17 O=C1CCC[C@@H](N1)C(=O)CCF 1458a_100000705292_100011217306 [0,2,0,0,0,0|1,0,1]=4 4612 B12R1.17 O=C1CCC[C@@H](N1)C(=O)CCO 1458a_100000705292_100000211926 [0,2,0,0,0,0|1,0,1]=4 4613 B12R1.225 CC(C)C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210206 [0,2,0,0,0,0|1,0,1]=4 4614 B12R1.28 C#CCCOC1CCCC(=O)C1 34a_100012613340_100000688953 [0,2,0,0,0,0|1,0,1]=4 4615 B12R1.28 C#CCOCC1CCCC(=O)N1 34a_200000102386_100000184674 [0,2,0,0,0,0|1,0,1]=4 4616 B12R1.28 C/C=C/COC1CCCC(=O)C1 34a_100012613340_100102629194 [0,2,0,0,0,0|1,0,1]=4 4617 B12R1.28 C=CCCOC1CCCC(=O)C1 34a_100012613340_100000754431 [0,2,0,0,0,0|1,0,1]=4 4618 B12R1.28 C=CCOCC1CCCC(=O)N1 34a_200000102386_100015514636 [0,2,0,0,0,0|1,0,1]=4 4619 B12R1.28 CC#CCOC1CCCC(=O)C1 34a_100012613340_100000748600 [0,2,0,0,0,0|1,0,1]=4 4620 B12R1.28 CC1=CC(CCC1)OCCCF 34a_100011218613_100011934791 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.28 CC1=CC(CCC1)OCCCO 34a_100011218613_100000230001 [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.28 CC=CCOC1CCCC(=O)C1 34a_100012613340_100000070051 [0,2,0,0,0,0|1,0,1]=4 4623 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,2,0,0,0,0|2,0,0]=4 4626 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,2,0,0,0,0|1,0,0]=3 4627 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,2,0,0,0,0|2,0,0]=4 4628 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,2,0,0,0,0|1,0,0]=3 4629 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,2,0,0,0,0|2,0,0]=4 4630 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,2,0,0,0,0|2,0,0]=4 4632 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.28 COCCOC1C=C(CCC1)C 34a_100011218613_100011201679 [0,2,0,0,0,0|2,0,0]=4 4634 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,2,0,0,0,0|1,0,0]=3 4635 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,2,0,0,0,0|2,0,0]=4 4636 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,2,0,0,0,0|2,0,0]=4 4637 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,2,0,0,0,0|2,0,0]=4 4638 B12R1.28 CSCCOC1C=C(CCC1)C 34a_100011218613_100000212216 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,2,0,0,0,0|1,0,0]=3 4640 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,2,0,0,0,0|2,0,0]=4 4641 B12R1.28 CSCOCC1CCCC(=O)N1 34a_200000102386_100011218213 [0,2,0,0,0,0|1,0,0]=3 4642 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,2,0,0,0,0|2,0,0]=4 4643 B12R1.28 CSCOCC1COCC(=O)N1 34a_200000101122_100011218213 [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,2,0,0,0,0|2,0,0]=4 4646 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,2,0,0,0,0|2,0,0]=4 4647 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,2,0,0,0,0|2,0,0]=4 4649 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,2,0,0,0,0|2,0,0]=4 4650 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,2,0,0,0,0|1,0,0]=3 4651 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.28 O=C1CCCC(N1)COCCF 34a_200000102386_100011217306 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.28 O=C1CCCC(N1)COCCO 34a_200000102386_100000211926 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.28 O=C1COCC(N1)COCCF 34a_200000101122_100011217306 [0,2,0,0,0,0|2,0,0]=4 4655 B12R1.28 O=C1COCC(N1)COCCO 34a_200000101122_100000211926 [0,2,0,0,0,0|2,0,0]=4 4656 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,2,0,0,0,0|2,0,0]=4 4658 B12R1.28 O=CCOCC1CCCC(=O)N1 34a_200000102386_200009817547 [0,2,0,0,0,0|1,0,1]=4 4659 B12R1.50 C#CC(C)OC1CCCC(=O)C1 34a_100012613340_200000035995 [0,2,0,0,0,0|2,0,0]=4 4660 B12R1.50 CC(CO)OC1CCCC(=O)C1 34a_100012613340_100012180447 [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.50 CCC(C)NC1CCNC(=O)C1 2230a_100016994916_100000758301 [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.50 CCC(C)NC1CCNC(=O)C1 34a_100016994916_100011215416 [0,2,0,0,0,0|2,0,0]=4 4663 B12R1.50 CCC(C)OC1C=C(CCC1)C 34a_100011218613_100011215416 [0,2,0,0,0,0|2,0,0]=4 4664 B12R1.50 CCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215416 [0,2,0,0,0,0|1,0,0]=3 4665 B12R1.50 CCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100011215416 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.226 C=C(C)COC1CCCC(=O)C1 34a_100012613340_100000748629 [0,2,0,0,0,0|1,0,1]=4 4667 B12R1.226 CC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000210760 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.226 CC(C)CNC1CCNC(=O)C1 34a_100016994916_100000210624 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,2,0,0,0,0|1,0,0]=3 4670 B12R1.226 CC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210624 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.226 CC(C)OCC1CCCC(=O)N1 34a_200000102386_100000210206 [0,2,0,0,0,0|1,0,0]=3 4672 B12R1.226 CC(C)OCC1CCNC(=O)C1 34a_100009886756_100000210206 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.226 CC(C)OCC1COCC(=O)N1 34a_200000101122_100000210206 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.226 CC(O)CNC1CCNC(=O)C1 2230a_100016994916_100011218427 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.226 CC(O)CNC1CCNC(=O)C1 34a_100016994916_100011218427 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [0,2,0,0,0,0|1,0,0]=3 4677 B12R1.226 CC(O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218427 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.226 CC1=CC(CCC1)OCC(C)C 34a_100011218613_100000210624 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.226 CC1=CC(CCC1)OCC(C)O 34a_100011218613_100011218427 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.226 CC1=CC(CCC1)OC[C@@H](C)O 34a_100011218613_100009817552 [0,2,0,0,0,0|2,0,0]=4 4681 B12R1.226 C[C@@H](O)CNC1CCNC(=O)C1 2230a_100016994916_100009817552 [0,2,0,0,0,0|2,0,0]=4 4682 B12R1.226 C[C@@H](O)CNC1CCNC(=O)C1 34a_100016994916_100009817552 [0,2,0,0,0,0|2,0,0]=4 4683 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [0,2,0,0,0,0|1,0,0]=3 4684 B12R1.226 C[C@@H](O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100009817552 [0,2,0,0,0,0|2,0,0]=4 4685 B12R1.226 O=C1CCCC(C1)OCC(F)F 34a_100012613340_100011934356 [0,2,0,0,0,0|2,0,0]=4 4686 B12R1.385 CCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210303 [0,2,0,0,0,0|2,0,0]=4 4687 B12R1.385 CCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210303 [0,2,0,0,0,0|2,0,0]=4 4688 B12R1.119 CC(C)(C)OC1CCCC(=O)C1 34a_100012613340_100000210625 [0,2,0,0,0,0|2,0,0]=4 4689 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,0,1,1,0,0|2,0,0]=4 4690 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,0,1,1,0,0|2,0,0]=4 4691 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,0,1,1,0,0|2,0,0]=4 4692 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,0,1,1,0,0|2,0,0]=4 4693 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4694 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4695 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4696 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,1,1,0,0|2,0,0]=4 4697 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,1,1,0,0|2,0,0]=4 4698 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,1,1,0,0|2,0,0]=4 4699 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,0,1,1,0,0|2,0,0]=4 4700 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,0,1,1,0,0|1,0,0]=3 4701 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,0,1,1,0,0|2,0,0]=4 4702 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,0,1,1,0,0|2,0,0]=4 4703 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,0,1,1,0,0|2,0,0]=4 4704 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,1,1,0,0|1,0,0]=3 4705 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,1,1,0,0|2,0,0]=4 4706 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4707 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4708 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4709 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,1,1,0,0|2,0,0]=4 4710 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,1,1,0,0|2,0,0]=4 4711 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,1,1,0,0|1,0,0]=3 4712 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,0,1,1,0,0|2,0,0]=4 4713 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,0,1,1,0,0|2,0,0]=4 4714 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,0,1,1,0,0|2,0,0]=4 4715 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,1,1,0,0|1,0,0]=3 4716 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,1,1,0,0|2,0,0]=4 4717 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,0,1,1,0,0|2,0,0]=4 4718 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,0,1,1,0,0|2,0,0]=4 4719 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,0,1,1,0,0|2,0,0]=4 4720 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,1,1,0,0|2,0,0]=4 4721 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,0,1,1,0,0|2,0,0]=4 4722 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,0,1,1,0,0|2,0,0]=4 4723 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,0,1,1,0,0|2,0,0]=4 4724 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,1,1,0,0|1,0,0]=3 4725 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,0,1,1,0,0|2,0,0]=4 4726 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,0,1,1,0,0|2,0,0]=4 4727 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,0,1,1,0,0|2,0,0]=4 4728 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,1,1,0,0|1,0,0]=3 4729 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,1,1,0,0|1,0,0]=3 4730 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,1,1,0,0|2,0,0]=4 4731 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,0,1,1,0,0|2,0,0]=4 4732 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,0,1,1,0,0|2,0,0]=4 4733 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,0,1,1,0,0|2,0,0]=4 4734 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,1,1,0,0|2,0,0]=4 4735 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,1,1,0,0|2,0,0]=4 4736 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,1,1,0,0|2,0,0]=4 4737 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,1,1,0,0|2,0,0]=4 4738 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,1,1,0,0|2,0,0]=4 4739 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,1,1,0,0|2,0,0]=4 4740 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,0,1,1,0,0|2,0,0]=4 4741 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,0,1,1,0,0|2,0,0]=4 4742 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,0,1,1,0,0|2,0,0]=4 4743 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,0,1,1,0,0|2,0,0]=4 4744 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,0,1,1,0,0|2,0,0]=4 4745 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,0,1,1,0,0|2,0,0]=4 4746 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,0,1,1,0,0|2,0,0]=4 4747 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,0,1,1,0,0|2,0,0]=4 4748 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,0,1,1,0,0|2,0,0]=4 4749 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,1,1,0,0|1,0,0]=3 4750 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,0,1,1,0,0|2,0,0]=4 4751 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,0,1,1,0,0|1,0,1]=4 4752 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,0,1,1,0,0|1,0,1]=4 4753 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,0,1,1,0,0|1,0,1]=4 4754 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,0,1,1,0,0|1,0,1]=4 4755 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,1,1,0,0|1,0,0]=3 4756 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,1,1,0,0|2,0,0]=4 4757 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,0,1,1,0,0|2,0,0]=4 4758 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,1,1,0,0|2,0,0]=4 4759 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,0,1,1,0,0|2,0,0]=4 4760 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,0,1,1,0,0|2,0,0]=4 4761 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,0,1,1,0,0|1,0,1]=4 4762 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,0,1,1,0,0|1,0,0]=3 4763 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,0,1,1,0,0|2,0,0]=4 4764 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,0,1,1,0,0|2,0,0]=4 4765 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,0,1,1,0,0|2,0,0]=4 4766 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,0,1,1,0,0|2,0,0]=4 4767 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,0,1,1,0,0|2,0,0]=4 4768 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,0,1,1,0,0|2,0,0]=4 4769 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,0,1,1,0,0|2,0,0]=4 4770 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,1,1,0,0|2,0,0]=4 4771 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,1,1,0,0|2,0,0]=4 4772 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,1,1,0,0|2,0,0]=4 4773 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,0,1,1,0,0|2,0,0]=4 4774 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,0,1,1,0,0|2,0,0]=4 4775 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,0,1,1,0,0|2,0,0]=4 4776 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,0,1,1,0,0|2,0,0]=4 4777 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,0,1,1,0,0|2,0,0]=4 4778 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,0,1,1,0,0|2,0,0]=4 4779 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,0,1,1,0,0|2,0,0]=4 4780 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,0,1,1,0,0|2,0,0]=4 4781 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,0,1,1,0,0|2,0,0]=4 4782 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,0,1,1,0,0|2,0,0]=4 4783 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,0,1,1,0,0|2,0,0]=4 4784 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,0,1,1,0,0|2,0,0]=4 4785 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,0,1,1,0,0|2,0,0]=4 4786 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,0,1,1,0,0|2,0,0]=4 4787 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,0,1,1,0,0|2,0,0]=4 4788 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,0,1,1,0,0|2,0,0]=4 4789 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,0,1,1,0,0|2,0,0]=4 4790 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,0,1,1,0,0|2,0,0]=4 4791 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,0,1,1,0,0|2,0,0]=4 4792 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,0,1,1,0,0|2,0,0]=4 4793 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,0,1,1,0,0|2,0,0]=4 4794 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,0,1,1,0,0|2,0,0]=4 4795 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,0,1,1,0,0|1,0,0]=3 4796 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,0,1,1,0,0|2,0,0]=4 4797 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,0,1,1,0,0|2,0,0]=4 4798 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,0,1,1,0,0|1,0,1]=4 4799 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,0,1,1,0,0|1,0,1]=4 4800 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,0,1,1,0,0|1,0,1]=4 4801 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,0,1,1,0,0|1,0,1]=4 4802 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,1,1,0,0|2,0,0]=4 4803 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,0,1,1,0,0|2,0,0]=4 4804 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,0,1,1,0,0|2,0,0]=4 4805 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,0,1,1,0,0|2,0,0]=4 4806 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,0,1,1,0,0|2,0,0]=4 4807 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,0,1,1,0,0|2,0,0]=4 4808 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,0,1,1,0,0|2,0,0]=4 4809 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,0,1,1,0,0|2,0,0]=4 4810 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,0,1,1,0,0|2,0,0]=4 4811 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,0,1,1,0,0|2,0,0]=4 4812 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,0,1,1,0,0|2,0,0]=4 4813 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,0,1,1,0,0|2,0,0]=4 4814 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,0,1,1,0,0|2,0,0]=4 4815 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,0,1,1,0,0|2,0,0]=4 4816 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,0,1,1,0,0|2,0,0]=4 4817 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,0,1,1,0,0|2,0,0]=4 4818 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,0,1,1,0,0|1,0,0]=3 4819 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,0,1,1,0,0|2,0,0]=4 4820 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,0,1,1,0,0|2,0,0]=4 4821 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,0,1,1,0,0|2,0,0]=4 4822 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,0,1,1,0,0|1,0,1]=4 4823 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,0,1,1,0,0|1,0,1]=4 4824 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,0,1,1,0,0|1,0,1]=4 4825 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,0,1,1,0,0|1,0,1]=4 4826 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,1,1,0,0|1,0,0]=3 4827 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,1,1,0,0|1,0,0]=3 4828 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4829 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4830 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4831 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,1,1,0,0|2,0,0]=4 4832 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,1,1,0,0|1,0,0]=3 4833 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,0,1,1,0,0|1,0,1]=4 4834 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,0,1,1,0,0|1,0,0]=3 4835 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,0,1,1,0,0|1,0,0]=3 4836 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,0,1,1,0,0|2,0,0]=4 4837 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,0,1,1,0,0|2,0,0]=4 4838 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,0,1,1,0,0|2,0,0]=4 4839 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,0,1,1,0,0|1,0,0]=3 4840 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,0,1,1,0,0|1,0,0]=3 4841 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,0,1,1,0,0|2,0,0]=4 4842 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,0,1,1,0,0|2,0,0]=4 4843 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,0,1,1,0,0|2,0,0]=4 4844 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,0,1,1,0,0|2,0,0]=4 4845 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,0,1,1,0,0|2,0,0]=4 4846 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,0,1,1,0,0|2,0,0]=4 4847 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,0,1,1,0,0|2,0,0]=4 4848 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,0,1,1,0,0|2,0,0]=4 4849 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,0,1,1,0,0|2,0,0]=4 4850 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,0,1,1,0,0|2,0,0]=4 4851 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,0,1,1,0,0|2,0,0]=4 4852 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,0,1,1,0,0|2,0,0]=4 4853 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,0,1,1,0,0|2,0,0]=4 4854 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,0,1,1,0,0|2,0,0]=4 4855 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,0,1,1,0,0|2,0,0]=4 4856 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,0,1,1,0,0|2,0,0]=4 4857 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,0,1,1,0,0|2,0,0]=4 4858 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,0,1,1,0,0|2,0,0]=4 4859 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,0,1,1,0,0|2,0,0]=4 4860 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,0,1,1,0,0|2,0,0]=4 4861 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,0,1,1,0,0|2,0,0]=4 4862 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,0,1,1,0,0|2,0,0]=4 4863 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,0,1,1,0,0|2,0,0]=4 4864 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,0,1,1,0,0|2,0,0]=4 4865 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,0,1,1,0,0|2,0,0]=4 4866 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,0,1,1,0,0|2,0,0]=4 4867 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,0,1,1,0,0|2,0,0]=4 4868 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,0,1,1,0,0|2,0,0]=4 4869 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,0,1,1,0,0|2,0,0]=4 4870 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,0,1,1,0,0|2,0,0]=4 4871 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,0,1,1,0,0|2,0,0]=4 4872 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,0,1,1,0,0|2,0,0]=4 4873 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,0,1,1,0,0|2,0,0]=4 4874 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,0,1,1,0,0|2,0,0]=4 4875 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,0,1,1,0,0|2,0,0]=4 4876 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,0,1,1,0,0|2,0,0]=4 4877 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,0,1,1,0,0|2,0,0]=4 4878 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,0,1,1,0,0|2,0,0]=4 4879 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,0,1,1,0,0|2,0,0]=4 4880 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,0,1,1,0,0|2,0,0]=4 4881 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,0,1,1,0,0|2,0,0]=4 4882 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,0,1,1,0,0|2,0,0]=4 4883 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,0,1,1,0,0|2,0,0]=4 4884 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,0,1,1,0,0|2,0,0]=4 4885 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,0,1,1,0,0|2,0,0]=4 4886 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,0,1,1,0,0|2,0,0]=4 4887 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [0,0,1,1,0,0|2,0,0]=4 4888 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [0,0,1,1,0,0|2,0,0]=4 4889 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [0,0,1,1,0,0|2,0,0]=4 4890 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [0,0,1,1,0,0|2,0,0]=4 4891 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,0,1,1,0,0|2,0,0]=4 4892 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,0,1,1,0,0|2,0,0]=4 4893 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [0,0,1,1,0,0|2,0,0]=4 4894 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [0,0,1,1,0,0|2,0,0]=4 4895 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,0,1,1,0,0|1,0,1]=4 4896 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,0,1,1,0,0|1,0,1]=4 4897 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,0,1,1,0,0|1,0,1]=4 4898 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,0,1,1,0,0|1,0,1]=4 4899 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,0,1,1,0,0|0,0,2]=4 4900 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,0,1,1,0,0|2,0,0]=4 4901 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,0,1,1,0,0|2,0,0]=4 4902 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,0,1,1,0,0|2,0,0]=4 4903 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,0,1,1,0,0|2,0,0]=4 4904 B10R1.21 O=CCNCC1OCCO1 2230a_100000036311_200015260668 [0,0,1,1,0,0|2,0,0]=4 4905 B10R1.21 O=CCNCC1OCCO1 34a_100000036311_200009817547 [0,0,1,1,0,0|2,0,0]=4 4906 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [0,0,1,1,0,0|1,0,0]=3 4907 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [0,0,1,1,0,0|1,0,0]=3 4908 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,0,1,1,0,0|2,0,0]=4 4909 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,0,1,1,0,0|2,0,0]=4 4910 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,0,1,1,0,0|1,0,0]=3 4911 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,0,1,1,0,0|1,0,0]=3 4912 B10R1.21 O=CCOCC1COCO1 34a_100011216627_200009817547 [0,0,1,1,0,0|2,0,0]=4 4913 B10R1.21 O=CCOCC1OCCO1 34a_100000087154_200009817547 [0,0,1,1,0,0|2,0,0]=4 4914 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [0,0,1,1,0,0|2,0,0]=4 4915 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,0,1,1,0,0|2,0,0]=4 4916 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,0,1,1,0,0|2,0,0]=4 4917 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [0,0,1,1,0,0|1,0,0]=3 4918 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [0,0,1,1,0,0|1,0,0]=3 4919 B10R1.21 O=CCSCC1OCCO1 62a_100000755774_200015260668 [0,0,1,1,0,0|2,0,0]=4 4920 B10R1.21 O=CCSCC1OCCO1 62a_200015260668_100000755774 [0,0,1,1,0,0|2,0,0]=4 4921 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,0,1,1,0,0|2,0,0]=4 4922 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,0,1,1,0,0|2,0,0]=4 4923 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,0,1,1,0,0|1,0,0]=3 4924 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,0,1,1,0,0|2,0,0]=4 4925 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,0,1,1,0,0|2,0,0]=4 4926 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,0,1,1,0,0|2,0,0]=4 4927 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,0,1,1,0,0|2,0,0]=4 4928 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,0,1,1,0,0|2,0,0]=4 4929 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,0,1,1,0,0|2,0,0]=4 4930 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,0,1,1,0,0|2,0,0]=4 4931 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,0,1,1,0,0|2,0,0]=4 4932 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,0,1,1,0,0|2,0,0]=4 4933 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,0,1,1,0,0|1,0,1]=4 4934 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,0,1,1,0,0|1,0,0]=3 4935 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,0,1,1,0,0|1,0,0]=3 4936 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,0,1,1,0,0|2,0,0]=4 4937 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,0,1,1,0,0|2,0,0]=4 4938 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,0,1,1,0,0|2,0,0]=4 4939 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,0,1,1,0,0|2,0,0]=4 4940 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,0,1,1,0,0|1,0,0]=3 4941 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,0,1,1,0,0|1,0,0]=3 4942 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,0,1,1,0,0|1,0,0]=3 4943 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,0,1,1,0,0|1,0,0]=3 4944 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,0,1,1,0,0|2,0,0]=4 4945 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,0,1,1,0,0|2,0,0]=4 4946 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,0,1,1,0,0|2,0,0]=4 4947 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,0,1,1,0,0|2,0,0]=4 4948 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,0,1,1,0,0|2,0,0]=4 4949 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,0,1,1,0,0|2,0,0]=4 4950 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,0,1,1,0,0|2,0,0]=4 4951 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,0,1,1,0,0|2,0,0]=4 4952 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [0,0,1,1,0,0|1,0,1]=4 4953 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [0,0,1,1,0,0|1,0,1]=4 4954 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,0,1,1,0,0|2,0,0]=4 4955 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,0,1,1,0,0|2,0,0]=4 4956 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,0,1,1,0,0|2,0,0]=4 4957 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,0,1,1,0,0|2,0,0]=4 4958 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,0,1,1,0,0|2,0,0]=4 4959 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,0,1,1,0,0|2,0,0]=4 4960 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,0,1,1,0,0|2,0,0]=4 4961 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,0,1,1,0,0|2,0,0]=4 4962 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,0,1,1,0,0|2,0,0]=4 4963 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,0,1,1,0,0|2,0,0]=4 4964 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,0,1,1,0,0|2,0,0]=4 4965 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,0,1,1,0,0|2,0,0]=4 4966 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,0,1,1,0,0|2,0,0]=4 4967 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,0,1,1,0,0|2,0,0]=4 4968 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [0,0,1,1,0,0|2,0,0]=4 4969 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [0,0,1,1,0,0|2,0,0]=4 4970 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [0,0,1,1,0,0|2,0,0]=4 4971 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [0,0,1,1,0,0|2,0,0]=4 4972 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,0,1,1,0,0|2,0,0]=4 4973 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,0,1,1,0,0|2,0,0]=4 4974 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,0,1,1,0,0|2,0,0]=4 4975 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,0,1,1,0,0|2,0,0]=4 4976 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,0,1,1,0,0|1,0,1]=4 4977 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,0,1,1,0,0|1,0,0]=3 4978 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,0,1,1,0,0|1,0,0]=3 4979 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,0,1,1,0,0|2,0,0]=4 4980 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,0,1,1,0,0|2,0,0]=4 4981 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,0,1,1,0,0|1,0,0]=3 4982 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,0,1,1,0,0|1,0,0]=3 4983 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,0,1,1,0,0|1,0,0]=3 4984 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,0,1,1,0,0|1,0,0]=3 4985 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [0,0,1,1,0,0|2,0,0]=4 4986 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [0,0,1,1,0,0|1,0,1]=4 4987 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [0,0,1,1,0,0|1,0,1]=4 4988 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [0,0,1,1,0,0|1,0,1]=4 4989 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,0,1,1,0,0|2,0,0]=4 4990 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,0,1,1,0,0|2,0,0]=4 4991 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,0,1,1,0,0|2,0,0]=4 4992 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,0,1,1,0,0|2,0,0]=4 4993 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,0,1,1,0,0|2,0,0]=4 4994 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,0,1,1,0,0|2,0,0]=4 4995 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,0,1,1,0,0|2,0,0]=4 4996 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,0,1,1,0,0|2,0,0]=4 4997 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,0,1,1,0,0|2,0,0]=4 4998 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,0,1,1,0,0|2,0,0]=4 4999 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,0,1,1,0,0|2,0,0]=4 5000 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,0,1,1,0,0|2,0,0]=4 5001 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,0,1,1,0,0|2,0,0]=4 5002 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,0,1,1,0,0|2,0,0]=4 5003 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,0,1,1,0,0|2,0,0]=4 5004 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [0,0,1,1,0,0|2,0,0]=4 5005 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [0,0,1,1,0,0|2,0,0]=4 5006 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [0,0,1,1,0,0|2,0,0]=4 5007 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [0,0,1,1,0,0|2,0,0]=4 5008 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,0,1,1,0,0|2,0,0]=4 5009 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,0,1,1,0,0|2,0,0]=4 5010 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,0,1,1,0,0|2,0,0]=4 5011 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,0,1,1,0,0|2,0,0]=4 5012 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,0,1,1,0,0|2,0,0]=4 5013 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,0,1,1,0,0|0,0,2]=4 5014 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,0,1,1,0,0|1,0,0]=3 5015 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,0,1,1,0,0|1,0,0]=3 5016 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,0,1,1,0,0|1,0,0]=3 5017 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [0,0,1,1,0,0|2,0,0]=4 5018 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,0,1,1,0,0|2,0,0]=4 5019 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,0,1,1,0,0|2,0,0]=4 5020 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,0,1,1,0,0|2,0,0]=4 5021 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,0,1,1,0,0|2,0,0]=4 5022 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,0,1,1,0,0|2,0,0]=4 5023 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,0,1,1,0,0|2,0,0]=4 5024 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,0,1,1,0,0|2,0,0]=4 5025 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,0,1,1,0,0|2,0,0]=4 5026 B10R1.186 C=CCNCC(O)C1CC1 2230a_100000751198_100000210623 [0,0,1,1,0,0|2,0,0]=4 5027 B10R1.186 C=CCNCC(O)C1CC1 34a_100000751198_100015514636 [0,0,1,1,0,0|2,0,0]=4 5028 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,0,1,1,0,0|1,0,0]=3 5029 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,0,1,1,0,0|2,0,0]=4 5030 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,0,1,1,0,0|1,0,0]=3 5031 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,0,1,1,0,0|1,0,0]=3 5032 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,0,1,1,0,0|1,0,0]=3 5033 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,0,1,1,0,0|1,0,0]=3 5034 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,0,1,1,0,0|2,0,0]=4 5035 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,0,1,1,0,0|2,0,0]=4 5036 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,0,1,1,0,0|2,0,0]=4 5037 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,0,1,1,0,0|2,0,0]=4 5038 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [0,0,1,1,0,0|1,0,1]=4 5039 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [0,0,1,1,0,0|1,0,1]=4 5040 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [0,0,1,1,0,0|2,0,0]=4 5041 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,0,1,1,0,0|2,0,0]=4 5042 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,0,1,1,0,0|2,0,0]=4 5043 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,0,1,1,0,0|2,0,0]=4 5044 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,0,1,1,0,0|2,0,0]=4 5045 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [0,0,1,1,0,0|1,0,0]=3 5046 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,0,1,1,0,0|2,0,0]=4 5047 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [0,0,1,1,0,0|1,0,0]=3 5048 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,0,1,1,0,0|2,0,0]=4 5049 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [0,0,1,1,0,0|1,0,0]=3 5050 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [0,0,1,1,0,0|1,0,0]=3 5051 B10R1.186 CN(CCCC=O)C1CC1 2230a_100000226674_200011292268 [0,0,1,1,0,0|2,0,0]=4 5052 B10R1.186 CN(CCCC=O)C1CC1 269982a_100000226674_200011292268 [0,0,1,1,0,0|2,0,0]=4 5053 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,0,1,1,0,0|2,0,0]=4 5054 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [0,0,1,1,0,0|2,0,0]=4 5055 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [0,0,1,1,0,0|2,0,0]=4 5056 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [0,0,1,1,0,0|2,0,0]=4 5057 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,0,1,1,0,0|2,0,0]=4 5058 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,0,1,1,0,0|2,0,0]=4 5059 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,0,1,1,0,0|2,0,0]=4 5060 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,0,1,1,0,0|2,0,0]=4 5061 B10R1.186 N[C@@H](COCC=O)C1CC1 34a_100020623730_200009817547 [0,0,1,1,0,0|2,0,0]=4 5062 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,0,1,1,0,0|2,0,0]=4 5063 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,0,1,1,0,0|2,0,0]=4 5064 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [0,0,1,1,0,0|2,0,0]=4 5065 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [0,0,1,1,0,0|2,0,0]=4 5066 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [0,0,1,1,0,0|2,0,0]=4 5067 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [0,0,1,1,0,0|2,0,0]=4 5068 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [0,0,1,1,0,0|2,0,0]=4 5069 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [0,0,1,1,0,0|2,0,0]=4 5070 B10R1.186 O=C(OCSCF)C1CC1 62a_100000140896_100015361967 [0,0,1,1,0,0|2,0,0]=4 5071 B10R1.186 O=C(OCSCF)C1CC1 62a_100015361967_100000140896 [0,0,1,1,0,0|2,0,0]=4 5072 B10R1.186 O=CCNCC(O)C1CC1 2230a_100000751198_200015260668 [0,0,1,1,0,0|1,0,0]=3 5073 B10R1.186 O=CCNCC(O)C1CC1 34a_100000751198_200009817547 [0,0,1,1,0,0|1,0,0]=3 5074 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,0,1,1,0,0|2,0,0]=4 5075 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,0,1,1,0,0|2,0,0]=4 5076 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,0,1,1,0,0|2,0,0]=4 5077 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,0,1,1,0,0|2,0,0]=4 5078 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,0,1,1,0,0|2,0,0]=4 5079 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,0,1,1,0,0|2,0,0]=4 5080 B10R1.376 C=CCNCC1(CCC1)O 2230a_100000752638_100000210623 [0,0,1,1,0,0|2,0,0]=4 5081 B10R1.376 CC1(CCC1)CNCC=O 2230a_100000706607_200015260668 [0,0,1,1,0,0|2,0,0]=4 5082 B10R1.376 CC1(CCC1)CSCC=O 62a_100000726658_200015260668 [0,0,1,1,0,0|2,0,0]=4 5083 B10R1.376 CC1(CCC1)CSCC=O 62a_200015260668_100000726658 [0,0,1,1,0,0|2,0,0]=4 5084 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [0,0,1,1,0,0|1,0,1]=4 5085 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [0,0,1,1,0,0|1,0,1]=4 5086 B10R1.376 O=CCNCC1(CCC1)O 2230a_100000752638_200015260668 [0,0,1,1,0,0|1,0,0]=3 5087 B10R1.376 O=CCNCC1(COC1)O 2230a_100010264505_200015260668 [0,0,1,1,0,0|2,0,0]=4 5088 B10R1.69 CCCC(CC)OC1CC1 34a_100000687864_100000211595 [0,0,1,1,0,0|1,0,1]=4 5089 B10R1.227 CC(=O)NC1(CCC1)CO 240690a_100016993734_100015343762 [0,0,1,1,0,0|2,0,0]=4 5090 B10R1.227 CC(=O)NC1(CCC1)CO 527a_100016993734_100103153847 [0,0,1,1,0,0|2,0,0]=4 5091 B10R1.227 CCC1(COC1)CC(=O)C 1458a_100000070787_200009907690 [0,0,1,1,0,0|2,0,0]=4 5092 B10R1.374 CC(=O)N[C@@H](CO)C1CC1 240690a_100020623730_100015343762 [0,0,1,1,0,0|2,0,0]=4 5093 B10R1.374 CC(=O)N[C@@H](CO)C1CC1 527a_100020623730_100103153847 [0,0,1,1,0,0|2,0,0]=4 5094 B10R1.374 CCC(NC(=O)C)C1CC1 11a_100025715781_100015343762 [0,0,1,1,0,0|1,0,0]=3 5095 B10R1.374 CCC(NC(=O)C)C1CC1 1626a_100025715781_100015343762 [0,0,1,1,0,0|1,0,0]=3 5096 B10R1.374 CCC(NC(=O)C)C1CC1 240690a_100025715781_100015343762 [0,0,1,1,0,0|1,0,0]=3 5097 B10R1.374 CCC(NC(=O)C)C1CC1 527a_100025715781_100103153847 [0,0,1,1,0,0|1,0,0]=3 5098 B10R1.374 CCC(OC(C)C)C1CC1 34a_100011351122_100000210206 [0,0,1,1,0,0|1,0,1]=4 5099 B10R1.374 CCC(OC(C)C)C1CC1 7a_100011351122_100000210206 [0,0,1,1,0,0|1,0,1]=4 5100 B10R1.394 CCCC1(CC1)NC(=O)C 11a_100015185929_100015343762 [0,0,1,1,0,0|1,0,0]=3 5101 B10R1.394 CCCC1(CC1)NC(=O)C 1626a_100015185929_100015343762 [0,0,1,1,0,0|1,0,0]=3 5102 B10R1.394 CCCC1(CC1)NC(=O)C 240690a_100015185929_100015343762 [0,0,1,1,0,0|1,0,0]=3 5103 B10R1.394 CCCC1(CC1)NC(=O)C 527a_100015185929_100103153847 [0,0,1,1,0,0|1,0,0]=3 5104 B10R1.397 CCCN(CC=O)C1CC1 2230a_100000765834_200015260668 [0,0,1,1,0,0|2,0,0]=4 5105 B10R1.397 CCCN(CC=O)C1CC1 269982a_100000765834_200015260668 [0,0,1,1,0,0|2,0,0]=4 5106 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,0,1,1,0,0|1,0,1]=4 5107 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,0,1,1,0,0|1,0,0]=3 5108 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,0,1,1,0,0|1,0,0]=3 5109 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,0,1,1,0,0|2,0,0]=4 5110 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,0,1,1,0,0|2,0,0]=4 5111 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,0,1,1,0,0|2,0,0]=4 5112 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,0,1,1,0,0|2,0,0]=4 5113 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,0,1,1,0,0|2,0,0]=4 5114 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,0,1,1,0,0|1,0,0]=3 5115 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,0,1,1,0,0|1,0,0]=3 5116 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,0,1,1,0,0|1,0,0]=3 5117 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,0,1,1,0,0|1,0,0]=3 5118 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,0,1,1,0,0|2,0,0]=4 5119 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,0,1,1,0,0|2,0,0]=4 5120 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,0,1,1,0,0|2,0,0]=4 5121 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,0,1,1,0,0|2,0,0]=4 5122 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,0,1,1,0,0|2,0,0]=4 5123 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,0,1,1,0,0|2,0,0]=4 5124 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,0,1,1,0,0|1,0,1]=4 5125 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,0,1,1,0,0|1,0,1]=4 5126 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,0,1,1,0,0|1,0,1]=4 5127 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,0,1,1,0,0|2,0,0]=4 5128 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,0,1,1,0,0|2,0,0]=4 5129 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,0,1,1,0,0|2,0,0]=4 5130 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,0,1,1,0,0|2,0,0]=4 5131 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,0,1,1,0,0|2,0,0]=4 5132 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,0,1,1,0,0|2,0,0]=4 5133 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,0,1,1,0,0|2,0,0]=4 5134 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,0,1,1,0,0|2,0,0]=4 5135 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,0,1,1,0,0|2,0,0]=4 5136 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,0,1,1,0,0|2,0,0]=4 5137 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,0,1,1,0,0|2,0,0]=4 5138 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,0,1,1,0,0|2,0,0]=4 5139 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,0,1,1,0,0|2,0,0]=4 5140 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,0,1,1,0,0|2,0,0]=4 5141 B10R1.134 CC(NC(=O)CO)C1CC1 240690a_100000700016_100000210174 [0,0,1,1,0,0|2,0,0]=4 5142 B10R1.134 CC(NC(=O)CO)C1CC1 527a_100000700016_100000210174 [0,0,1,1,0,0|2,0,0]=4 5143 B10R1.134 CCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210202 [0,0,1,1,0,0|1,0,1]=4 5144 B10R1.134 CCC(=O)CN(C)C1CC1 269982a_100000226674_100000747405 [0,0,1,1,0,0|2,0,0]=4 5145 B10R1.134 CCC(=O)NC(C)C1CC1 11a_100000700016_100000210414 [0,0,1,1,0,0|1,0,0]=3 5146 B10R1.134 CCC(=O)NC(C)C1CC1 1626a_100000700016_100000210414 [0,0,1,1,0,0|1,0,0]=3 5147 B10R1.134 CCC(=O)NC(C)C1CC1 240690a_100000700016_100000210414 [0,0,1,1,0,0|1,0,0]=3 5148 B10R1.134 CCC(=O)NC(C)C1CC1 527a_100000700016_100000210414 [0,0,1,1,0,0|1,0,0]=3 5149 B10R1.134 CCC(C)OC(C)C1CC1 34a_100000744524_100011215416 [0,0,1,1,0,0|1,0,1]=4 5150 B10R1.134 CCC(C)OC(C)C1CC1 7a_100000744524_100000758301 [0,0,1,1,0,0|1,0,1]=4 5151 B10R1.134 CNC(=O)NC(C)C1CC1 2708a_100000700016_106832991635 [0,0,1,1,0,0|2,0,0]=4 5152 B10R1.134 CNC(=O)NC(C)C1CC1 2708a_100102657272_100000700016 [0,0,1,1,0,0|2,0,0]=4 5153 B10R1.134 CNC(=O)NC(C)C1CC1 273464a_100000700016_100102657272 [0,0,1,1,0,0|2,0,0]=4 5154 B10R1.134 CNC(=O)NC(C)C1CC1 273464a_100102657272_100000700016 [0,0,1,1,0,0|2,0,0]=4 5155 B10R1.134 CNC(=O)NC(C)C1CC1 512a_100000700016_100102657272 [0,0,1,1,0,0|2,0,0]=4 5156 B10R1.134 CNC(=O)NC(C)C1CC1 512a_106832991638_100000700016 [0,0,1,1,0,0|2,0,0]=4 5157 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [0,0,1,1,0,0|2,0,0]=4 5158 B10R1.150 CCC(=O)NC1CC(C1)F 11a_100016993743_100000210414 [0,0,1,1,0,0|2,0,0]=4 5159 B10R1.150 CCC(=O)NC1CC(C1)F 1626a_100016993743_100000210414 [0,0,1,1,0,0|2,0,0]=4 5160 B10R1.150 CCC(=O)NC1CC(C1)F 240690a_100016993743_100000210414 [0,0,1,1,0,0|2,0,0]=4 5161 B10R1.150 CCC(=O)NC1CC(C1)F 527a_100016993743_100000210414 [0,0,1,1,0,0|2,0,0]=4 5162 B10R1.150 CCC(=O)NC1CN(C1)C 240690a_100015196640_100000210414 [0,0,1,1,0,0|2,0,0]=4 5163 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210414 [0,0,1,1,0,0|2,0,0]=4 5164 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210414 [0,0,1,1,0,0|2,0,0]=4 5165 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210414 [0,0,1,1,0,0|2,0,0]=4 5166 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210414 [0,0,1,1,0,0|2,0,0]=4 5167 B10R1.181 CCCC(C)OC1(CC1)C 7a_100011725673_100000766640 [0,0,1,1,0,0|1,0,1]=4 5168 B10R1.429 CC1(CCC1)CC(=O)CO 1458a_100000210174_100000726658 [0,0,1,1,0,0|2,0,0]=4 5169 B10R1.429 CC1(CCC1)NC(=O)CO 240690a_100000692455_100000210174 [0,0,1,1,0,0|2,0,0]=4 5170 B10R1.429 CC1(CCC1)NC(=O)CO 527a_100000692455_100000210174 [0,0,1,1,0,0|2,0,0]=4 5171 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [0,0,1,1,0,0|1,0,0]=3 5172 B10R1.429 CCC(=O)CC1(COC1)C 1458a_100000210414_100000066812 [0,0,1,1,0,0|2,0,0]=4 5173 B10R1.429 CCC(=O)NC1(CCC1)C 11a_100000692455_100000210414 [0,0,1,1,0,0|1,0,0]=3 5174 B10R1.429 CCC(=O)NC1(CCC1)C 1626a_100000692455_100000210414 [0,0,1,1,0,0|1,0,0]=3 5175 B10R1.429 CCC(=O)NC1(CCC1)C 240690a_100000692455_100000210414 [0,0,1,1,0,0|1,0,0]=3 5176 B10R1.429 CCC(=O)NC1(CCC1)C 527a_100000692455_100000210414 [0,0,1,1,0,0|1,0,0]=3 5177 B10R1.429 CCC(=O)NC1(COC1)C 11a_100000732644_100000210414 [0,0,1,1,0,0|2,0,0]=4 5178 B10R1.429 CCC(=O)NC1(COC1)C 1626a_100000732644_100000210414 [0,0,1,1,0,0|2,0,0]=4 5179 B10R1.429 CCC(=O)NC1(COC1)C 527a_100000732644_100000210414 [0,0,1,1,0,0|2,0,0]=4 5180 B10R1.429 CCC(C)OC1(CCC1)C 34a_100000759064_100011215416 [0,0,1,1,0,0|1,0,1]=4 5181 B10R1.429 CCC(C)OC1(CCC1)C 7a_100000759064_100000758301 [0,0,1,1,0,0|1,0,1]=4 5182 B10R1.429 CNC(=O)NC1(CCC1)C 2708a_100102657272_100000692455 [0,0,1,1,0,0|2,0,0]=4 5183 B10R1.429 CNC(=O)NC1(CCC1)C 273464a_100000692455_100102657272 [0,0,1,1,0,0|2,0,0]=4 5184 B10R1.429 CNC(=O)NC1(CCC1)C 273464a_100102657272_100000692455 [0,0,1,1,0,0|2,0,0]=4 5185 B10R1.429 CNC(=O)NC1(CCC1)C 512a_100000692455_100102657272 [0,0,1,1,0,0|2,0,0]=4 5186 B10R1.429 CNC(=O)NC1(CCC1)C 512a_106832991638_100000692455 [0,0,1,1,0,0|2,0,0]=4 5187 B10R2.21 CN1CCCC1C2CC2 2230a_200000757794_200000210301 [0,0,0,1,1,0|2,0,0]=4 5188 B10R2.21 CN1CCCC1C2CC2 269982a_200000757794_200000210301 [0,0,0,1,1,0|2,0,0]=4 5189 B10R2.21 CN1CCCC1C2CC2 34a_200000757794_200000210301 [0,0,0,1,1,0|2,0,0]=4 5190 B10R2.21 [13CH3]N1CCCC1C2CC2 2230a_200000757794_200025704644 [0,0,0,1,1,0|2,0,0]=4 5191 B10R2.21 [13CH3]N1CCCC1C2CC2 269982a_200000757794_200025704644 [0,0,0,1,1,0|2,0,0]=4 5192 B10R2.21 [13CH3]N1CCCC1C2CC2 34a_200000757794_200025704644 [0,0,0,1,1,0|2,0,0]=4 5193 B12R2.1286 CC1=CC(CCC1)OC2CC2 34a_100011218613_100000211595 [0,1,0,1,0,0|2,0,0]=4 5194 B12R2.1286 O=C1CC(CCN1)NC2CC2 34a_100016994916_100000211595 [0,1,0,1,0,0|2,0,0]=4 5195 B12R2.1286 O=C1CCCC(C1)OC2CC2 34a_100012613340_100000211595 [0,1,0,1,0,0|1,0,0]=3 5196 B12R2.1286 O=C1C[C@@H](CCN1)OC2CC2 34a_100015189427_100000211595 [0,1,0,1,0,0|2,0,0]=4 5197 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,0,1,0,1,0|0,0,0]=2 5198 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,0,1,0,1,0|0,0,0]=2 5199 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,0,1,0,1,0|0,0,0]=2 5200 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [0,0,1,0,1,0|2,0,0]=4 5201 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [0,0,1,0,1,0|2,0,0]=4 5202 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,0,1,0,1,0|2,0,0]=4 5203 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,0,1,0,1,0|2,0,0]=4 5204 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,0,1,0,1,0|2,0,0]=4 5205 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,0,1,0,1,0|2,0,0]=4 5206 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,0,1,0,1,0|1,0,0]=3 5207 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,0,1,0,1,0|1,0,0]=3 5208 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,0,1,0,1,0|1,0,0]=3 5209 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,0,1,0,1,0|1,0,0]=3 5210 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,0,1,0,1,0|2,0,0]=4 5211 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,0,1,0,1,0|2,0,0]=4 5212 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,0,1,0,1,0|2,0,0]=4 5213 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,0,1,0,1,0|2,0,0]=4 5214 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,0,1,0,1,0|2,0,0]=4 5215 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,0,1,0,1,0|2,0,0]=4 5216 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,0,1,0,1,0|2,0,0]=4 5217 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,0,1,0,1,0|2,0,0]=4 5218 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,0,1,0,1,0|2,0,0]=4 5219 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,0,1,0,1,0|2,0,0]=4 5220 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,0,1,0,1,0|2,0,0]=4 5221 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,0,1,0,1,0|2,0,0]=4 5222 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,0,1,0,1,0|2,0,0]=4 5223 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,0,1,0,1,0|2,0,0]=4 5224 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,0,1,0,1,0|2,0,0]=4 5225 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,0,1,0,1,0|0,0,2]=4 5226 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,0,1,0,1,0|0,0,2]=4 5227 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,0,1,0,1,0|0,0,2]=4 5228 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,0,1,0,1,0|2,0,0]=4 5229 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,0,1,0,1,0|0,0,2]=4 5230 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,0,1,0,1,0|1,0,1]=4 5231 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,0,1,0,1,0|1,0,0]=3 5232 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,0,1,0,1,0|1,0,0]=3 5233 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,0,1,0,1,0|1,0,0]=3 5234 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,0,1,0,1,0|1,0,0]=3 5235 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,0,1,0,1,0|2,0,0]=4 5236 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,0,1,0,1,0|2,0,0]=4 5237 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,0,1,0,1,0|2,0,0]=4 5238 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,0,1,0,1,0|2,0,0]=4 5239 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,0,1,0,1,0|0,0,0]=2 5240 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,0,1,0,1,0|0,0,0]=2 5241 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,0,1,0,1,0|1,0,0]=3 5242 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,0,1,0,1,0|1,0,0]=3 5243 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,0,1,0,1,0|1,0,0]=3 5244 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,0,1,0,1,0|1,0,0]=3 5245 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,0,1,0,1,0|1,0,0]=3 5246 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,0,1,0,1,0|1,0,0]=3 5247 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,0,1,0,1,0|2,0,0]=4 5248 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,0,1,0,1,0|2,0,0]=4 5249 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,0,1,0,1,0|1,0,0]=3 5250 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,0,1,0,1,0|1,0,0]=3 5251 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,0,1,0,1,0|1,0,0]=3 5252 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,0,1,0,1,0|1,0,0]=3 5253 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,0,1,0,1,0|2,0,0]=4 5254 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,0,1,0,1,0|2,0,0]=4 5255 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,0,1,0,1,0|2,0,0]=4 5256 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,0,1,0,1,0|2,0,0]=4 5257 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,0,1,0,1,0|1,0,0]=3 5258 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,0,1,0,1,0|2,0,0]=4 5259 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,0,1,0,1,0|2,0,0]=4 5260 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,0,1,0,1,0|1,0,0]=3 5261 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,0,1,0,1,0|2,0,0]=4 5262 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,0,1,0,1,0|2,0,0]=4 5263 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,0,1,0,1,0|2,0,0]=4 5264 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,0,1,0,1,0|2,0,0]=4 5265 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,0,1,0,1,0|1,0,0]=3 5266 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,0,1,0,1,0|2,0,0]=4 5267 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,0,1,0,1,0|2,0,0]=4 5268 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,0,1,0,1,0|2,0,0]=4 5269 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,0,1,0,1,0|2,0,0]=4 5270 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,0,1,0,1,0|2,0,0]=4 5271 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,0,1,0,1,0|2,0,0]=4 5272 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,0,1,0,1,0|2,0,0]=4 5273 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,0,1,0,1,0|2,0,0]=4 5274 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,0,1,0,1,0|1,0,0]=3 5275 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,0,1,0,1,0|1,0,0]=3 5276 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,0,1,0,1,0|1,0,0]=3 5277 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,0,1,0,1,0|2,0,0]=4 5278 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,0,1,0,1,0|2,0,0]=4 5279 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,0,1,0,1,0|2,0,0]=4 5280 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,0,1,0,1,0|2,0,0]=4 5281 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,0,1,0,1,0|2,0,0]=4 5282 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,0,1,0,1,0|2,0,0]=4 5283 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,0,1,0,1,0|2,0,0]=4 5284 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,0,1,0,1,0|2,0,0]=4 5285 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,0,1,0,1,0|2,0,0]=4 5286 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,0,1,0,1,0|2,0,0]=4 5287 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,0,1,0,1,0|2,0,0]=4 5288 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,0,1,0,1,0|2,0,0]=4 5289 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,0,1,0,1,0|2,0,0]=4 5290 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,0,1,0,1,0|2,0,0]=4 5291 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,0,1,0,1,0|2,0,0]=4 5292 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,0,1,0,1,0|2,0,0]=4 5293 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,0,1,0,1,0|2,0,0]=4 5294 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,0,1,0,1,0|2,0,0]=4 5295 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,0,1,0,1,0|2,0,0]=4 5296 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,0,1,0,1,0|2,0,0]=4 5297 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,0,1,0,1,0|2,0,0]=4 5298 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,0,1,0,1,0|2,0,0]=4 5299 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,0,1,0,1,0|2,0,0]=4 5300 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,0,1,0,1,0|2,0,0]=4 5301 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,0,1,0,1,0|2,0,0]=4 5302 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,0,1,0,1,0|2,0,0]=4 5303 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,0,1,0,1,0|2,0,0]=4 5304 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,0,1,0,1,0|2,0,0]=4 5305 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,0,1,0,1,0|2,0,0]=4 5306 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,0,1,0,1,0|2,0,0]=4 5307 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,0,1,0,1,0|2,0,0]=4 5308 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,0,1,0,1,0|2,0,0]=4 5309 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,0,1,0,1,0|2,0,0]=4 5310 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,0,1,0,1,0|2,0,0]=4 5311 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,0,1,0|2,0,0]=4 5312 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,0,1,0|2,0,0]=4 5313 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,0,1,0|2,0,0]=4 5314 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,0,1,0|2,0,0]=4 5315 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,0,1,0|2,0,0]=4 5316 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,0,1,0|2,0,0]=4 5317 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,0,1,0|2,0,0]=4 5318 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,0,1,0|2,0,0]=4 5319 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,0,1,0|2,0,0]=4 5320 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,0,1,0|2,0,0]=4 5321 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,0,1,0|2,0,0]=4 5322 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,0,1,0|2,0,0]=4 5323 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,0,1,0|1,0,0]=3 5324 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,0,1,0|1,0,0]=3 5325 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,0,1,0|1,0,0]=3 5326 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,0,1,0|2,0,0]=4 5327 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,0,1,0|2,0,0]=4 5328 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,0,1,0|2,0,0]=4 5329 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,0,1,0|2,0,0]=4 5330 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,0,1,0|2,0,0]=4 5331 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,0,1,0|1,0,0]=3 5332 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,0,1,0|1,0,0]=3 5333 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,0,1,0|2,0,0]=4 5334 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,0,1,0|2,0,0]=4 5335 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,0,1,0|1,0,0]=3 5336 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,0,1,0|1,0,0]=3 5337 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,0,1,0|2,0,0]=4 5338 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,0,1,0|2,0,0]=4 5339 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,0,1,0|2,0,0]=4 5340 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,0,1,0|2,0,0]=4 5341 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,0,1,0|1,0,0]=3 5342 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,0,1,0|2,0,0]=4 5343 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,0,1,0|1,0,0]=3 5344 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,0,1,0|1,0,0]=3 5345 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,0,1,0|2,0,0]=4 5346 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,0,1,0|2,0,0]=4 5347 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,0,1,0|1,0,1]=4 5348 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,0,1,0|1,0,1]=4 5349 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,0,1,0|1,0,1]=4 5350 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,0,1,0|1,0,1]=4 5351 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,0,1,0|1,0,1]=4 5352 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,0,1,0|1,0,1]=4 5353 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,0,1,0|1,0,1]=4 5354 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,0,1,0|1,0,1]=4 5355 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,0,1,0|1,0,1]=4 5356 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,0,1,0|1,0,0]=3 5357 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,0,1,0|1,0,1]=4 5358 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,0,1,0|1,0,1]=4 5359 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,0,1,0|1,0,1]=4 5360 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,0,1,0|1,0,1]=4 5361 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,0,1,0|1,0,1]=4 5362 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,0,1,0|1,0,1]=4 5363 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,0,1,0|1,0,1]=4 5364 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,0,1,0|1,0,1]=4 5365 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,0,1,0|1,0,0]=3 5366 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,0,1,0|1,0,0]=3 5367 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [1,0,0,0,1,0|2,0,0]=4 5368 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [1,0,0,0,1,0|2,0,0]=4 5369 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [1,0,0,0,1,0|2,0,0]=4 5370 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [1,0,0,0,1,0|2,0,0]=4 5371 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [1,0,0,0,1,0|2,0,0]=4 5372 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,0,1,0|1,0,0]=3 5373 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,0,1,0|1,0,0]=3 5374 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,0,1,0|1,0,1]=4 5375 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,0,1,0|1,0,1]=4 5376 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,0,1,0|1,0,1]=4 5377 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,0,1,0|1,0,0]=3 5378 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,0,1,0|1,0,0]=3 5379 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [1,0,0,0,1,0|2,0,0]=4 5380 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [1,0,0,0,1,0|2,0,0]=4 5381 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [1,0,0,0,1,0|2,0,0]=4 5382 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,0,1,0|2,0,0]=4 5383 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,0,1,0|1,0,1]=4 5384 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,0,1,0|1,0,1]=4 5385 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,0,1,0|1,0,0]=3 5386 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,0,1,0|1,0,0]=3 5387 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [1,0,0,0,1,0|2,0,0]=4 5388 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [1,0,0,0,1,0|2,0,0]=4 5389 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [1,0,0,0,1,0|2,0,0]=4 5390 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,0,1,0|1,0,1]=4 5391 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,0,1,0|1,0,1]=4 5392 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [1,0,0,0,1,0|2,0,0]=4 5393 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [1,0,0,0,1,0|2,0,0]=4 5394 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,0,1,0|1,0,0]=3 5395 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,0,1,0|1,0,0]=3 5396 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,0,1,0|1,0,1]=4 5397 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,0,1,0|1,0,1]=4 5398 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,0,1,0|1,0,0]=3 5399 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,0,1,0|1,0,0]=3 5400 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [1,0,0,0,1,0|2,0,0]=4 5401 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [1,0,0,0,1,0|2,0,0]=4 5402 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,0,1,0|2,0,0]=4 5403 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,0,1,0|1,0,1]=4 5404 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,0,1,0|1,0,1]=4 5405 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,0,1,0|1,0,0]=3 5406 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,0,1,0|1,0,0]=3 5407 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [1,0,0,0,1,0|2,0,0]=4 5408 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [1,0,0,0,1,0|2,0,0]=4 5409 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,0,0,0,2,0|2,0,0]=4 5410 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,0,0,0,2,0|2,0,0]=4 5411 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,0,0,0,2,0|2,0,0]=4 5412 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,0,0,0,2,0|2,0,0]=4 5413 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,0,0,0,2,0|2,0,0]=4 5414 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,0,0,0,2,0|2,0,0]=4 5415 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,0,0,0,2,0|2,0,0]=4 5416 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,0,0,0,2,0|2,0,0]=4 5417 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,0,0,0,2,0|2,0,0]=4 5418 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,0,2,0|1,0,0]=3 5419 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,0,2,0|1,0,0]=3 5420 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,0,2,0|1,0,0]=3 5421 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,0,0,0,2,0|2,0,0]=4 5422 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,0,0,0,2,0|2,0,0]=4 5423 B10R0.27 C=C(C)CNC(CC)CCC 2230a_100000747048_100000748629 [0,0,1,0,0,1|2,0,0]=4 5424 B10R0.27 C=C(C)COC(CC)CCC 34a_100000687864_100000748629 [0,0,1,0,0,1|1,0,0]=3 5425 B10R0.27 C=C(C)COC(CC)CCC 7a_100000687864_100000748629 [0,0,1,0,0,1|1,0,0]=3 5426 B10R0.27 C=C(C)COC(CC)COC 7a_200011214946_100000748629 [0,0,1,0,0,1|2,0,0]=4 5427 B10R0.27 C=C(C)CSC(CC)CCC 62a_100000748629_100011219200 [0,0,1,0,0,1|1,1,0]=4 5428 B10R0.27 C=C(C)CSC(CC)CCC 62a_100011219200_100000211660 [0,0,1,0,0,1|1,1,0]=4 5429 B10R0.27 C=C(F)COC(CC)CCC 34a_100000687864_100009893438 [0,0,1,0,0,1|1,0,1]=4 5430 B10R0.27 C=C(F)COC(CC)CCC 7a_100000687864_100000042424 [0,0,1,0,0,1|1,0,1]=4 5431 B10R0.27 CCC(COC)OCC(=O)N 7a_200011214946_100000187820 [0,0,1,0,0,1|2,0,0]=4 5432 B10R0.27 CCCC(=NNC(=O)C)CC 4a_100000189765_100000687865 [0,0,1,0,0,1|1,0,1]=4 5433 B10R0.27 CCCC(CC)NCC(=O)N 2230a_100000747048_100000747473 [0,0,1,0,0,1|2,0,0]=4 5434 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [0,0,1,0,0,1|2,0,0]=4 5435 B10R0.27 CCCC(CC)OCC(=O)N 34a_100000687864_100000187820 [0,0,1,0,0,1|1,0,0]=3 5436 B10R0.27 CCCC(CC)OCC(=O)N 7a_100000687864_100000187820 [0,0,1,0,0,1|1,0,0]=3 5437 B10R0.27 CCCC(CC)OCC(=O)[O-] 34a_100000687864_100020667443 [0,0,1,0,0,1|1,0,0]=3 5438 B10R0.27 CCCC(CC)OCC(C)C 34a_100000687864_100000210624 [0,0,1,0,0,1|1,0,1]=4 5439 B10R0.27 CCCC(CC)OCC(C)C 7a_100000687864_100000210760 [0,0,1,0,0,1|1,0,1]=4 5440 B10R0.27 CCCC(CC)OCC(C)O 34a_100000687864_100011218427 [0,0,1,0,0,1|0,0,2]=4 5441 B10R0.27 CCCC(CC)OCC(C)O 7a_100000687864_100011218427 [0,0,1,0,0,1|0,0,2]=4 5442 B10R0.27 CCCC(CC)OC[C@@H](C)O 34a_100000687864_100009817552 [0,0,1,0,0,1|0,0,2]=4 5443 B10R0.27 CCCC(CC)OC[C@@H](C)O 7a_100000687864_100009817552 [0,0,1,0,0,1|0,0,2]=4 5444 B10R0.27 CCCC(CC)OC[N+](=O)[O-] 34a_100000687864_100000761209 [0,0,1,0,0,1|2,0,0]=4 5445 B10R0.27 CCCC(CC)SCC(=O)N 62a_100000747473_100011219200 [0,0,1,0,0,1|1,1,0]=4 5446 B10R0.27 CCCC(CC)SCC(=O)N 62a_100011219200_100000747473 [0,0,1,0,0,1|1,1,0]=4 5447 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100011219200_100020667443 [0,0,1,0,0,1|1,1,0]=4 5448 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100020667443_100011219200 [0,0,1,0,0,1|1,1,0]=4 5449 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [0,0,1,0,0,1|2,0,0]=4 5450 B10R0.27 CCCN(CC)COC(=O)C 269982a_100000226822_100000076356 [0,0,1,0,0,1|1,0,0]=3 5451 B10R0.27 CCN(CCO)COC(=O)C 269982a_100000210973_100000076356 [0,0,1,0,0,1|2,0,0]=4 5452 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [0,0,1,0,0,1|2,0,0]=4 5453 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [0,0,1,0,0,1|2,0,0]=4 5454 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [0,0,1,0,0,1|2,0,0]=4 5455 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [0,0,1,0,0,1|2,0,0]=4 5456 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [0,0,1,0,0,1|2,0,0]=4