0 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.7 CNCC1CCN(C1)C 34a_100102657272_200000690779 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.7 CNCC1CCN(C1)C 7a_106832991635_200000690779 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,0,0,0|2,0,0]=2 57 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,0,0,0|2,0,0]=2 58 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,0,0,0|2,0,0]=2 59 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,0,0,0|2,0,0]=2 69 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,0,0,0|2,0,0]=2 85 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,0,0,0|2,0,0]=2 87 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,0,0,0|2,0,0]=2 89 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,0,0,0,0,0|3,0,1]=4 90 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,0,0,0|2,0,0]=2 92 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,0,0,0|2,0,0]=2 94 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,0,0,0|2,0,0]=2 95 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,0,0,0|2,0,0]=2 96 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,0,0,0|2,0,0]=2 97 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,0,0,0|3,0,0]=3 99 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,0,0,0,0,0|2,0,1]=4 116 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,0,0,0|2,0,1]=4 117 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,0,0,0|2,0,1]=4 119 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,0,0,0|1,0,1]=3 130 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,0,0,0|1,0,1]=3 143 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,0,0,0|1,0,1]=3 144 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [1,0,0,0,0,0|2,0,1]=4 150 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [1,0,0,0,0,0|2,0,1]=4 151 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [1,0,0,0,0,0|2,0,1]=4 152 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [1,0,0,0,0,0|2,0,1]=4 153 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,0,0,0|1,0,1]=3 155 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,0,0,0|1,0,1]=3 156 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,0,0,0|2,0,1]=4 158 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,0,0,0|2,0,1]=4 159 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,0,0,0|2,0,1]=4 160 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,0,0,0|1,0,1]=3 161 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,0,0,0|1,0,1]=3 162 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [1,0,0,0,0,0|2,0,1]=4 166 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [1,0,0,0,0,0|2,0,1]=4 167 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [1,0,0,0,0,0|2,0,1]=4 168 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,0,0,0|2,0,1]=4 169 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,0,0,0|2,0,1]=4 171 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,0,0,0|1,0,1]=3 172 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,0,0,0|1,0,1]=3 173 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [1,0,0,0,0,0|2,0,1]=4 177 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [1,0,0,0,0,0|2,0,1]=4 178 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,0,0,0|2,0,1]=4 179 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [1,0,0,0,0,0|2,0,1]=4 183 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [1,0,0,0,0,0|2,0,1]=4 184 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,0,0,0|1,0,1]=3 185 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,0,0,0|1,0,1]=3 186 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,0,0,0|2,0,1]=4 187 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,0,0,0|2,0,1]=4 188 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,0,0,0|2,0,1]=4 189 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,0,0,0|1,0,1]=3 190 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,0,0,0|1,0,1]=3 191 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [1,0,0,0,0,0|2,0,1]=4 194 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [1,0,0,0,0,0|2,0,1]=4 195 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,0,0,0|2,0,1]=4 196 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,0,0,0|2,0,1]=4 197 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,0,0,0|2,0,1]=4 198 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,0,0,0|1,0,1]=3 199 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,0,0,0|1,0,1]=3 200 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [1,0,0,0,0,0|2,0,1]=4 203 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,0,0,0|1,0,1]=3 205 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,0,0,0|0,0,1]=2 208 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.14 CCC(C)N1CNC(=O)C1 2230a_200000708111_100000758301 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,1,0,0,0,0|1,0,1]=3 212 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,1,0,0,0,0|1,0,1]=3 213 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,1,0,0,0,0|1,0,1]=3 214 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,1,0,0,0,0|1,0,1]=3 215 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.16 C#CCNC1COC(=O)O1 34a_100000212058_100000032252 [0,1,0,0,0,0|1,0,2]=4 218 B10R1.16 C#CCOC1CCC(=O)C1 34a_100012614533_100000184674 [0,1,0,0,0,0|1,0,2]=4 219 B10R1.16 C#CCOC1COC(=O)O1 34a_100000210247_100000032252 [0,1,0,0,0,0|1,0,2]=4 220 B10R1.16 C#CCSC1COC(=O)O1 62a_100000038162_100000032252 [0,1,0,0,0,0|1,0,2]=4 221 B10R1.16 C=CCOC1CCC(=O)C1 34a_100012614533_100015514636 [0,1,0,0,0,0|1,0,2]=4 222 B10R1.16 C=CCOC1COC(=O)O1 34a_200000210373_100000032252 [0,1,0,0,0,0|1,0,2]=4 223 B10R1.16 C=CCSC1COC(=O)O1 62a_100000210623_100000032252 [0,1,0,0,0,0|1,0,2]=4 224 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,1,0,0,0,0|1,0,2]=4 227 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,1,0,0,0,0|1,0,2]=4 229 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.16 CCCSC1CCN(C1)C 62a_100000210303_200012183744 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.16 CCOCC1CCN(C1)C 34a_100121572206_200000690779 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.16 COCCN1CNC(=O)C1 2230a_200000708111_100011201679 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.16 CSCCN1CNC(=O)C1 2230a_200000708111_100000751147 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.16 N#CCSC1COC(=O)O1 62a_100011215382_100000032252 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.16 O=C1CC(CN1)NCCF 2230a_100000697751_100011217306 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.16 O=C1CC(CN1)NCCO 2230a_100000697751_100000211926 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.16 O=C1CC(CN1)OCCF 34a_100000690082_100011217306 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.16 O=C1CC(CN1)OCCO 34a_100000690082_100000211926 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.16 O=C1CN(CN1)CCCF 2230a_200000708111_100011934791 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.16 O=C1CN(CN1)CCCO 2230a_200000708111_100000230001 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.16 O=C1NCC(O1)COCF 34a_100011315639_100015361967 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015307671_100015361967 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015361967_100015307671 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.16 O=CCSC1COC(=O)O1 62a_200015260668_100000032252 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,0,0,0|1,0,1]=3 304 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,1,0,0,0,0|1,0,1]=3 305 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,0,0,0|1,0,1]=3 306 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,0,0,0|1,0,1]=3 307 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.54 CC(C)CN1CNC(=O)C1 2230a_200000708111_100000210760 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.54 CC(O)CN1CNC(=O)C1 2230a_200000708111_100011218427 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [0,1,0,0,0,0|2,0,0]=3 317 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.54 C[C@@H](O)CN1CNC(=O)C1 2230a_200000708111_100009817552 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,0,0,0|1,0,1]=3 325 B10R1.95 CCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210202 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.95 CCNC1CCS(=O)(=O)C1 34a_100000683523_100000210202 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.95 CCOC1CCS(=O)(=O)C1 34a_100000186101_100000210202 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.95 CCOC1CCS(=O)(=O)C1 7a_100000186101_100000210202 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.95 CNCC1CCS(=O)(=O)C1 2230a_100000737051_200000210301 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.95 CNCC1CCS(=O)(=O)C1 34a_100000737051_200000210301 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.95 [13CH3]NCC1CCS(=O)(=O)C1 2230a_100000737051_200025704644 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.95 [13CH3]NCC1CCS(=O)(=O)C1 34a_100000737051_200025704644 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,1,0,0,0,0|1,0,2]=4 335 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,1,0,0,0,0|1,0,2]=4 338 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,1,0,0,0,0|1,0,2]=4 339 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,0,1,0,0,0|1,0,2]=4 342 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,0,1,0,0,0|1,0,2]=4 343 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,0,1,0,0,0|3,0,0]=4 344 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,0,1,0,0,0|3,0,0]=4 345 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,0,1,0,0,0|3,0,0]=4 346 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,0,1,0,0,0|3,0,0]=4 347 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,0,1,0,0,0|3,0,0]=4 348 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,0,1,0,0,0|3,0,0]=4 349 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,0,1,0,0,0|3,0,0]=4 350 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,0,1,0,0,0|3,0,0]=4 351 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,0,1,0,0,0|3,0,0]=4 352 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,0,1,0,0,0|3,0,0]=4 353 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,0,1,0,0,0|3,0,0]=4 354 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,0,1,0,0,0|3,0,0]=4 355 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,0,1,0,0,0|3,0,0]=4 356 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,0,1,0,0,0|3,0,0]=4 357 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,0,1,0,0,0|3,0,0]=4 358 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,0,1,0,0,0|3,0,0]=4 359 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,0,1,0,0,0|3,0,0]=4 360 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,0,1,0,0,0|3,0,0]=4 361 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,0,1,0,0,0|3,0,0]=4 362 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,0,1,0,0,0|3,0,0]=4 363 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,0,1,0,0,0|3,0,0]=4 364 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,0,1,0,0,0|3,0,0]=4 365 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,0,1,0,0,0|2,0,0]=3 366 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,0,1,0,0,0|2,0,0]=3 367 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,0,1,0,0,0|2,0,0]=3 368 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,0,1,0,0,0|2,0,0]=3 369 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,0,1,0,0,0|2,0,0]=3 370 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,0,1,0,0,0|3,0,0]=4 371 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,0,1,0,0,0|3,0,0]=4 372 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,0,1,0,0,0|3,0,0]=4 373 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,0,1,0,0,0|3,0,0]=4 374 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,0,1,0,0,0|3,0,0]=4 375 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,0,1,0,0,0|3,0,0]=4 376 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,0,1,0,0,0|3,0,0]=4 377 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,0,1,0,0,0|3,0,0]=4 378 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,0,1,0,0,0|3,0,0]=4 379 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,0,1,0,0,0|3,0,0]=4 380 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,0,1,0,0,0|3,0,0]=4 381 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,0,1,0,0,0|3,0,0]=4 382 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,1,0,0,0|1,0,2]=4 383 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,1,0,0,0|1,0,2]=4 384 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,0,1,0,0,0|2,0,1]=4 385 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,0,1,0,0,0|2,0,1]=4 386 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,0,1,0,0,0|2,0,1]=4 387 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,0,1,0,0,0|2,0,1]=4 388 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,0,1,0,0,0|2,0,0]=3 389 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,0,1,0,0,0|2,0,0]=3 390 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,0,1,0,0,0|2,0,0]=3 391 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,0,1,0,0,0|2,0,0]=3 392 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,0,1,0,0,0|2,0,1]=4 393 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,0,1,0,0,0|2,0,1]=4 394 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,1,0,0,0|1,0,1]=3 395 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,1,0,0,0|1,0,1]=3 396 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,1,0,0,0|2,0,1]=4 397 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,1,0,0,0|1,0,0]=2 398 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,1,0,0,0|1,0,0]=2 399 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,1,0,0,0|1,0,0]=2 400 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,0,1,0,0,0|3,0,0]=4 401 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,0,1,0,0,0|3,0,0]=4 402 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,0,1,0,0,0|3,0,0]=4 403 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,1,0,0,0|1,0,0]=2 404 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,1,0,0,0|1,0,0]=2 405 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,1,0,0,0|1,0,0]=2 406 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,1,0,0,0|1,0,0]=2 407 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,0,1,0,0,0|2,0,1]=4 408 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,0,1,0,0,0|2,0,1]=4 409 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,0,1,0,0,0|2,0,1]=4 410 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,0,1,0,0,0|1,0,1]=3 411 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,0,1,0,0,0|1,0,1]=3 412 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,0,1,0,0,0|1,0,1]=3 413 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,0,1,0,0,0|1,1,1]=4 414 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,0,1,0,0,0|1,1,1]=4 415 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,0,1,0,0,0|3,0,0]=4 416 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,0,1,0,0,0|3,0,0]=4 417 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,0,1,0,0,0|3,0,0]=4 418 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,0,1,0,0,0|3,0,0]=4 419 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,0,1,0,0,0|3,0,0]=4 420 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,1,0,0,0|3,0,0]=4 421 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,1,0,0,0|3,0,0]=4 422 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,0,1,0,0,0|3,0,0]=4 423 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,1,0,0,0|2,0,0]=3 424 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,1,0,0,0|2,0,0]=3 425 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,1,0,0,0|1,0,0]=2 426 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,1,0,0,0|1,0,0]=2 427 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,0,1,0,0,0|2,0,1]=4 428 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,0,1,0,0,0|2,0,0]=3 429 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,0,1,0,0,0|2,0,0]=3 430 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,0,1,0,0,0|2,0,0]=3 431 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,0,1,0,0,0|2,0,0]=3 432 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,0,1,0,0,0|2,0,1]=4 433 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,1,0,0,0|1,0,2]=4 434 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,0,1,0,0,0|1,0,2]=4 435 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,0,1,0,0,0|1,0,2]=4 436 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,0,1,0,0,0|1,0,2]=4 437 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,0,1,0,0,0|1,0,2]=4 438 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,0,1,0,0,0|1,0,2]=4 439 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,0,1,0,0,0|1,0,2]=4 440 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,1,0,0,0|1,0,2]=4 441 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,0,1,0,0,0|1,0,2]=4 442 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,0,1,0,0,0|1,0,2]=4 443 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,0,1,0,0,0|1,0,2]=4 444 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,0,1,0,0,0|1,0,2]=4 445 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,0,1,0,0,0|1,0,2]=4 446 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,0,1,0,0,0|1,0,2]=4 447 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,0,1,0,0,0|1,0,2]=4 448 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,0,1,0,0,0|1,0,2]=4 449 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,0,1,0,0,0|1,0,2]=4 450 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,0,1,0,0,0|1,0,2]=4 451 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,0,1,0,0,0|1,0,2]=4 452 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,0,1,0,0,0|1,0,2]=4 453 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,0,1,0,0,0|1,0,2]=4 454 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,0,1,0,0,0|1,0,2]=4 455 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,0,1,0,0,0|1,0,2]=4 456 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,0,1,0,0,0|1,0,2]=4 457 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,0,1,0,0,0|1,0,2]=4 458 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,0,1,0,0,0|1,0,2]=4 459 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,0,1,0,0,0|1,0,2]=4 460 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,1,0,0,0|1,0,2]=4 461 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,1,0,0,0|1,0,2]=4 462 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,0,1,0,0,0|1,0,2]=4 463 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,0,1,0,0,0|2,0,1]=4 464 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,0,1,0,0,0|2,0,1]=4 465 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,0,1,0,0,0|2,0,1]=4 466 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,1,0,0,0|2,0,0]=3 467 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,1,0,0,0|2,0,0]=3 468 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,1,0,0,0|2,0,0]=3 469 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,0,1,0,0,0|2,0,0]=3 470 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,0,1,0,0,0|2,0,0]=3 471 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,0,1,0,0,0|2,0,0]=3 472 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,1,0,0,0|3,0,0]=4 473 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,1,0,0,0|3,0,0]=4 474 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,1,0,0,0|3,0,0]=4 475 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,0,1,0,0,0|3,0,0]=4 476 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,1,0,0,0|3,0,0]=4 477 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,1,0,0,0|3,0,0]=4 478 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,1,0,0,0|3,0,0]=4 479 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,1,0,0,0|3,0,0]=4 480 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,1,0,0,0|3,0,0]=4 481 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,1,0,0,0|3,0,0]=4 482 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,1,0,0,0|3,0,0]=4 483 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,1,0,0,0|3,0,0]=4 484 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,0,1,0,0,0|2,0,1]=4 485 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,0,1,0,0,0|2,0,1]=4 486 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,0,1,0,0,0|2,0,1]=4 487 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,0,1,0,0,0|2,0,1]=4 488 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,1,0,0,0|2,0,0]=3 489 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,1,0,0,0|2,0,0]=3 490 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,1,0,0,0|2,0,0]=3 491 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,1,0,0,0|2,0,0]=3 492 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,1,0,0,0|2,0,0]=3 493 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,1,0,0,0|2,0,0]=3 494 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,0,1,0,0,0|2,0,0]=3 495 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,0,1,0,0,0|2,0,0]=3 496 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,0,1,0,0,0|2,0,0]=3 497 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,0,1,0,0,0|2,0,0]=3 498 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,0,1,0,0,0|2,0,0]=3 499 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,0,1,0,0,0|2,0,0]=3 500 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,0,1,0,0,0|2,0,0]=3 501 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,0,1,0,0,0|2,0,0]=3 502 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,0,1,0,0,0|2,0,0]=3 503 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,0,1,0,0,0|2,0,0]=3 504 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,0,1,0,0,0|2,0,0]=3 505 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,0,1,0,0,0|2,0,0]=3 506 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,0,1,0,0,0|2,0,0]=3 507 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,0,1,0,0,0|3,0,0]=4 508 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,0,1,0,0,0|1,0,0]=2 509 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,0,1,0,0,0|1,0,0]=2 510 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,0,1,0,0,0|2,0,1]=4 511 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,0,1,0,0,0|2,0,1]=4 512 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,0,1,0,0,0|2,0,1]=4 513 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,0,1,0,0,0|2,0,1]=4 514 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,0,1,0,0,0|2,0,1]=4 515 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,0,1,0,0,0|2,0,1]=4 516 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,0,1,0,0,0|2,0,1]=4 517 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,0,1,0,0,0|2,0,1]=4 518 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,0,1,0,0,0|2,0,1]=4 519 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,0,1,0,0,0|2,0,1]=4 520 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,0,1,0,0,0|2,0,1]=4 521 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,0,1,0,0,0|2,0,1]=4 522 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,1,0,0,0|1,0,1]=3 523 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,0,1,0,0,0|2,0,1]=4 524 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,0,1,0,0,0|2,0,1]=4 525 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,1,0,0,0|1,0,1]=3 526 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,0,1,0,0,0|2,0,1]=4 527 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,0,1,0,0,0|2,0,1]=4 528 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,0,1,0,0,0|2,0,1]=4 529 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,0,1,0,0,0|2,0,1]=4 530 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,1,0,0,0|1,0,0]=2 531 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,1,0,0,0|1,0,0]=2 532 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,1,0,0,0|2,0,0]=3 533 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,1,0,0,0|2,0,0]=3 534 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,1,0,0,0|2,0,0]=3 535 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,1,0,0,0|2,0,0]=3 536 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,1,0,0,0|2,0,0]=3 537 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,1,0,0,0|2,0,0]=3 538 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,0,1,0,0,0|3,0,0]=4 539 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,0,1,0,0,0|3,0,0]=4 540 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,0,1,0,0,0|3,0,0]=4 541 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,0,1,0,0,0|3,0,0]=4 542 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,1,0,0,0|1,0,0]=2 543 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,1,0,0,0|1,0,0]=2 544 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,1,0,0,0|1,0,0]=2 545 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,1,0,0,0|1,0,0]=2 546 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,1,0,0,0|2,0,0]=3 547 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,1,0,0,0|2,0,0]=3 548 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,0,1,0,0,0|2,0,0]=3 549 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,0,1,0,0,0|2,0,0]=3 550 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,0,1,0,0,0|2,0,0]=3 551 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,0,1,0,0,0|2,0,0]=3 552 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,0,1,0,0,0|2,0,0]=3 553 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,0,1,0,0,0|2,0,0]=3 554 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,0,1,0,0,0|2,0,1]=4 555 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,0,1,0,0,0|2,0,1]=4 556 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,0,1,0,0,0|2,0,1]=4 557 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,0,1,0,0,0|1,0,1]=3 558 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,0,1,0,0,0|1,0,1]=3 559 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,0,1,0,0,0|1,0,1]=3 560 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,0,1,0,0,0|2,0,1]=4 561 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,0,1,0,0,0|2,0,1]=4 562 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,0,1,0,0,0|2,0,1]=4 563 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,0,1,0,0,0|2,0,1]=4 564 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,0,1,0,0,0|2,0,1]=4 565 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,0,1,0,0,0|1,1,1]=4 566 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,0,1,0,0,0|1,1,1]=4 567 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,0,1,0,0,0|3,0,0]=4 568 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,1,0,0,0|2,0,0]=3 569 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,0,1,0,0,0|3,0,0]=4 570 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,0,1,0,0,0|3,0,0]=4 571 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,0,1,0,0,0|3,0,0]=4 572 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,0,1,0,0,0|3,0,0]=4 573 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,1,0,0,0|2,0,0]=3 574 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,1,0,0,0|2,0,0]=3 575 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,0,1,0,0,0|3,0,0]=4 576 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,0,1,0,0,0|3,0,0]=4 577 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,0,1,0,0,0|3,0,0]=4 578 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,0,1,0,0,0|3,0,0]=4 579 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,0,1,0,0,0|3,0,0]=4 580 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,0,1,0,0,0|3,0,0]=4 581 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,0,1,0,0,0|3,0,0]=4 582 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,0,1,0,0,0|3,0,0]=4 583 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,1,0,0,0|2,0,0]=3 584 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,1,0,0,0|2,0,0]=3 585 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,1,0,0,0|2,0,0]=3 586 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,1,0,0,0|3,0,0]=4 587 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,1,0,0,0|3,0,0]=4 588 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,1,0,0,0|3,0,0]=4 589 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,1,0,0,0|3,0,0]=4 590 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,1,0,0,0|3,0,0]=4 591 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,1,0,0,0|3,0,0]=4 592 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,1,0,0,0|3,0,0]=4 593 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,1,0,0,0|3,0,0]=4 594 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,1,0,0,0|3,0,0]=4 595 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,0,1,0,0,0|3,0,0]=4 596 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,0,1,0,0,0|3,0,0]=4 597 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,0,1,0,0,0|3,0,0]=4 598 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,0,1,0,0,0|3,0,0]=4 599 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,0,1,0,0,0|2,0,1]=4 600 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,1,0,0,0|2,0,0]=3 601 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,1,0,0,0|2,0,0]=3 602 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,0,1,0,0,0|3,0,0]=4 603 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,0,1,0,0,0|3,0,0]=4 604 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,0,1,0,0,0|3,0,0]=4 605 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,0,1,0,0,0|3,0,0]=4 606 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,0,1,0,0,0|3,0,0]=4 607 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,0,1,0,0,0|3,0,0]=4 608 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,0,1,0,0,0|3,0,0]=4 609 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,0,1,0,0,0|3,0,0]=4 610 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,0,1,0,0,0|3,0,0]=4 611 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,1,0,0,0|2,0,0]=3 612 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,1,0,0,0|2,0,0]=3 613 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,0,1,0,0,0|3,0,0]=4 614 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,0,1,0,0,0|3,0,0]=4 615 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,0,1,0,0,0|3,0,0]=4 616 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,0,1,0,0,0|3,0,0]=4 617 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,0,1,0,0,0|3,0,0]=4 618 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,0,1,0,0,0|3,0,0]=4 619 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,0,1,0,0,0|3,0,0]=4 620 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,0,1,0,0,0|3,0,0]=4 621 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,0,1,0,0,0|3,0,0]=4 622 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,0,1,0,0,0|3,0,0]=4 623 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,0,1,0,0,0|2,0,0]=3 624 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,0,1,0,0,0|3,0,0]=4 625 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,0,1,0,0,0|3,0,0]=4 626 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,0,1,0,0,0|3,0,0]=4 627 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,0,1,0,0,0|3,0,0]=4 628 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,0,1,0,0,0|3,0,0]=4 629 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,0,1,0,0,0|3,0,0]=4 630 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,0,1,0,0,0|3,0,0]=4 631 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,0,1,0,0,0|3,0,0]=4 632 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,0,1,0,0,0|3,0,0]=4 633 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,0,1,0,0,0|3,0,0]=4 634 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,0,1,0,0,0|3,0,0]=4 635 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,0,1,0,0,0|3,0,0]=4 636 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,0,1,0,0,0|3,0,0]=4 637 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,0,1,0,0,0|3,0,0]=4 638 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,0,1,0,0,0|3,0,0]=4 639 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,0,1,0,0,0|3,0,0]=4 640 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,0,1,0,0,0|3,0,0]=4 641 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,0,1,0,0,0|3,0,0]=4 642 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,0,1,0,0,0|3,0,0]=4 643 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,0,1,0,0,0|3,0,0]=4 644 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,0,1,0,0,0|3,0,0]=4 645 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,0,1,0,0,0|3,0,0]=4 646 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,0,1,0,0,0|3,0,0]=4 647 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,0,1,0,0,0|3,0,0]=4 648 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,0,1,0,0,0|3,0,0]=4 649 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,0,1,0,0,0|3,0,0]=4 650 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,0,1,0,0,0|3,0,0]=4 651 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,0,1,0,0,0|3,0,0]=4 652 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,0,1,0,0,0|3,0,0]=4 653 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,0,1,0,0,0|3,0,0]=4 654 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,0,1,0,0,0|3,0,0]=4 655 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,0,1,0,0,0|3,0,0]=4 656 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,0,1,0,0,0|3,0,0]=4 657 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,0,1,0,0,0|3,0,0]=4 658 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,0,1,0,0,0|3,0,0]=4 659 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,0,1,0,0,0|3,0,0]=4 660 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,0,1,0,0,0|2,0,0]=3 661 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,0,1,0,0,0|2,0,0]=3 662 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,0,1,0,0,0|2,0,0]=3 663 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,0,1,0,0,0|2,0,0]=3 664 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,0,1,0,0,0|2,0,0]=3 665 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,0,1,0,0,0|3,0,0]=4 666 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,0,1,0,0,0|3,0,0]=4 667 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,0,1,0,0,0|3,0,0]=4 668 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,0,1,0,0,0|3,0,0]=4 669 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,0,1,0,0,0|3,0,0]=4 670 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,0,1,0,0,0|3,0,0]=4 671 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,0,1,0,0,0|3,0,0]=4 672 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,0,1,0,0,0|3,0,0]=4 673 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,0,1,0,0,0|3,0,0]=4 674 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,0,1,0,0,0|2,0,0]=3 675 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,0,1,0,0,0|2,0,0]=3 676 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,0,1,0,0,0|3,0,0]=4 677 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,0,1,0,0,0|3,0,0]=4 678 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,0,1,0,0,0|3,0,0]=4 679 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,0,1,0,0,0|3,0,0]=4 680 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,0,1,0,0,0|3,0,0]=4 681 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,0,1,0,0,0|2,0,0]=3 682 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,0,1,0,0,0|3,0,0]=4 683 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,0,1,0,0,0|3,0,0]=4 684 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,0,1,0,0,0|3,0,0]=4 685 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,0,1,0,0,0|3,0,0]=4 686 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,0,1,0,0,0|3,0,0]=4 687 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,0,1,0,0,0|3,0,0]=4 688 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,0,1,0,0,0|3,0,0]=4 689 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,0,1,0,0,0|2,0,0]=3 690 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,0,1,0,0,0|3,0,0]=4 691 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,0,1,0,0,0|3,0,0]=4 692 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,0,1,0,0,0|3,0,0]=4 693 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,0,1,0,0,0|3,0,0]=4 694 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,0,1,0,0,0|3,0,0]=4 695 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,1,0,0,0|3,0,0]=4 696 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,0,1,0,0,0|3,0,0]=4 697 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,0,1,0,0,0|3,0,0]=4 698 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,0,1,0,0,0|3,0,0]=4 699 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,0,1,0,0,0|3,0,0]=4 700 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,1,0,0,0|1,0,2]=4 701 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,1,0,0,0|1,0,2]=4 702 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,1,0,0,0|1,0,2]=4 703 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,0,1,0,0,0|1,0,2]=4 704 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,0,1,0,0,0|1,0,2]=4 705 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,0,1,0,0,0|3,0,0]=4 706 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,1,0,0,0|3,0,0]=4 707 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,1,0,0,0|3,0,0]=4 708 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,1,0,0,0|3,0,0]=4 709 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,1,0,0,0|3,0,0]=4 710 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,0,1,0,0,0|3,0,0]=4 711 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,0,1,0,0,0|3,0,0]=4 712 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,0,1,0,0,0|3,0,0]=4 713 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,0,1,0,0,0|3,0,0]=4 714 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,0,1,0,0,0|3,0,0]=4 715 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,0,1,0,0,0|3,0,0]=4 716 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,0,1,0,0,0|3,0,0]=4 717 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,0,1,0,0,0|3,0,0]=4 718 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,0,1,0,0,0|3,0,0]=4 719 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,0,1,0,0,0|3,0,0]=4 720 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,0,1,0,0,0|3,0,0]=4 721 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,0,1,0,0,0|3,0,0]=4 722 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,0,1,0,0,0|3,0,0]=4 723 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,0,1,0,0,0|3,0,0]=4 724 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,1,0,0,0|1,0,2]=4 725 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,1,0,0,0|1,0,2]=4 726 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,1,0,0,0|1,0,2]=4 727 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,0,1,0,0,0|1,0,2]=4 728 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,0,1,0,0,0|1,0,2]=4 729 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,1,0,0,0|2,0,1]=4 730 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,1,0,0,0|2,0,0]=3 731 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,1,0,0,0|2,0,0]=3 732 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,1,0,0,0|2,0,0]=3 733 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,1,0,0,0|2,0,0]=3 734 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,1,0,0,0|2,0,0]=3 735 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,1,0,0,0|3,0,0]=4 736 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,1,0,0,0|3,0,0]=4 737 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,1,0,0,0|3,0,0]=4 738 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,1,0,0,0|3,0,0]=4 739 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,1,0,0,0|3,0,0]=4 740 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,1,0,0,0|3,0,0]=4 741 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,1,0,0,0|3,0,0]=4 742 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,1,0,0,0|3,0,0]=4 743 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,1,0,0,0|3,0,0]=4 744 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,1,0,0,0|3,0,0]=4 745 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,1,0,0,0|3,0,0]=4 746 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,1,0,0,0|3,0,0]=4 747 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,1,0,0,0|3,0,0]=4 748 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,1,0,0,0|3,0,0]=4 749 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,1,0,0,0|3,0,0]=4 750 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,1,0,0,0|3,0,0]=4 751 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,1,0,0,0|3,0,0]=4 752 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,1,0,0,0|3,0,0]=4 753 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,1,0,0,0|3,0,0]=4 754 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,1,0,0,0|3,0,0]=4 755 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,1,0,0,0|3,0,0]=4 756 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,1,0,0,0|3,0,0]=4 757 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,1,0,0,0|3,0,0]=4 758 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,1,0,0,0|3,0,0]=4 759 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,1,0,0,0|1,0,2]=4 760 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,1,0,0,0|1,0,2]=4 761 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,1,0,0,0|1,0,2]=4 762 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,1,0,0,0|1,0,2]=4 763 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,1,0,0,0|1,0,2]=4 764 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,1,0,0,0|1,0,0]=2 765 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,1,0,0,0|1,0,0]=2 766 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,1,0,0,0|1,0,0]=2 767 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,0,1,0,0,0|3,0,0]=4 768 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,0,1,0,0,0|3,0,0]=4 769 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,0,1,0,0,0|3,0,0]=4 770 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,0,1,0,0,0|3,0,0]=4 771 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,0,1,0,0,0|3,0,0]=4 772 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,0,1,0,0,0|3,0,0]=4 773 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,1,0,0,0|2,0,0]=3 774 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,1,0,0,0|2,0,0]=3 775 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,1,0,0,0|2,0,0]=3 776 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,1,0,0,0|2,0,0]=3 777 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,1,0,0,0|2,0,0]=3 778 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,1,0,0,0|2,0,0]=3 779 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,1,0,0,0|2,0,0]=3 780 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,1,0,0,0|1,0,0]=2 781 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,0,1,0,0,0|2,0,1]=4 782 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,0,1,0,0,0|2,0,1]=4 783 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,0,1,0,0,0|2,0,1]=4 784 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,0,1,0,0,0|2,0,1]=4 785 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,0,1,0,0,0|2,0,1]=4 786 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,0,1,0,0,0|2,0,1]=4 787 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,1,0,0,0|3,0,0]=4 788 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,1,0,0,0|2,0,0]=3 789 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,1,0,0,0|2,0,0]=3 790 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,1,0,0,0|2,0,0]=3 791 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,1,0,0,0|2,0,0]=3 792 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,1,0,0,0|2,0,0]=3 793 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,1,0,0,0|2,0,0]=3 794 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,1,0,0,0|1,0,1]=3 795 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,0,1,0,0,0|2,0,1]=4 796 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,0,1,0,0,0|2,0,1]=4 797 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,0,1,0,0,0|2,0,1]=4 798 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,0,1,0,0,0|2,0,1]=4 799 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,0,1,0,0,0|2,0,1]=4 800 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,1,0,0,0|2,0,0]=3 801 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,1,0,0,0|2,0,0]=3 802 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,1,0,0,0|2,0,0]=3 803 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,1,0,0,0|2,0,0]=3 804 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,1,0,0,0|1,0,1]=3 805 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,1,0,0,0|1,0,1]=3 806 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,0,1,0,0,0|2,0,1]=4 807 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,0,1,0,0,0|2,0,1]=4 808 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,0,1,0,0,0|2,0,1]=4 809 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,0,1,0,0,0|2,0,1]=4 810 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,0,1,0,0,0|2,0,1]=4 811 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,0,1,0,0,0|2,0,1]=4 812 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,1,0,0,0|2,0,0]=3 813 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,1,0,0,0|2,0,0]=3 814 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,1,0,0,0|2,0,0]=3 815 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,1,0,0,0|2,0,0]=3 816 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,1,0,0,0|2,0,0]=3 817 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,1,0,0,0|2,0,0]=3 818 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,1,0,0,0|2,0,0]=3 819 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,0,1,0,0,0|2,0,1]=4 820 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,1,0,0,0|3,0,0]=4 821 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,1,0,0,0|2,0,0]=3 822 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,1,0,0,0|2,0,0]=3 823 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,1,0,0,0|2,0,0]=3 824 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,1,0,0,0|2,0,0]=3 825 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,0,1,0,0,0|2,0,1]=4 826 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,0,1,0,0,0|2,0,1]=4 827 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,1,0,0,0|3,0,0]=4 828 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,1,0,0,0|3,0,0]=4 829 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,1,0,0,0|2,0,0]=3 830 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,0,1,0,0,0|2,0,1]=4 831 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,0,1,0,0,0|3,0,0]=4 832 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,1,0,0,0|3,0,0]=4 833 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,1,0,0,0|3,0,0]=4 834 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,0,1,0,0,0|3,0,0]=4 835 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,0,1,0,0,0|3,0,0]=4 836 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,1,0,0,0|2,0,0]=3 837 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,1,0,0,0|2,0,0]=3 838 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,1,0,0,0|2,0,0]=3 839 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,1,0,0,0|2,0,0]=3 840 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,1,0,0,0|2,0,0]=3 841 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,0,1,0,0,0|2,0,1]=4 842 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,0,1,0,0,0|2,0,1]=4 843 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,1,0,0,0|3,0,0]=4 844 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,1,0,0,0|3,0,0]=4 845 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,1,0,0,0|3,0,0]=4 846 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,1,0,0,0|3,0,0]=4 847 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,1,0,0,0|3,0,0]=4 848 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,0,1,0,0,0|3,0,0]=4 849 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,1,0,0,0|3,0,0]=4 850 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,0,1,0,0,0|3,0,0]=4 851 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,0,1,0,0,0|3,0,0]=4 852 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,0,1,0,0,0|2,0,0]=3 853 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,0,1,0,0,0|3,0,0]=4 854 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,0,1,0,0,0|3,0,0]=4 855 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,0,1,0,0,0|2,0,1]=4 856 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,0,1,0,0,0|2,0,1]=4 857 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,1,0,0,0|2,0,0]=3 858 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,1,0,0,0|2,0,0]=3 859 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,1,0,0,0|2,0,0]=3 860 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,1,0,0,0|2,0,0]=3 861 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,0,1,0,0,0|2,0,1]=4 862 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,0,1,0,0,0|2,0,1]=4 863 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,1,0,0,0|3,0,0]=4 864 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,1,0,0,0|3,0,0]=4 865 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,1,0,0,0|3,0,0]=4 866 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,1,0,0,0|3,0,0]=4 867 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,1,0,0,0|3,0,0]=4 868 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,1,0,0,0|3,0,0]=4 869 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,0,1,0,0,0|3,0,0]=4 870 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,0,1,0,0,0|3,0,0]=4 871 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,1,0,0,0|3,0,0]=4 872 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,1,0,0,0|3,0,0]=4 873 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,0,1,0,0,0|3,0,0]=4 874 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,0,1,0,0,0|3,0,0]=4 875 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,0,1,0,0,0|2,0,1]=4 876 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,0,1,0,0,0|2,0,1]=4 877 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,0,1,0,0,0|2,0,1]=4 878 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,1,0,0,0|2,0,0]=3 879 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,1,0,0,0|2,0,0]=3 880 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,1,0,0,0|2,0,0]=3 881 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,1,0,0,0|3,0,0]=4 882 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,1,0,0,0|3,0,0]=4 883 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,1,0,0,0|3,0,0]=4 884 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,1,0,0,0|3,0,0]=4 885 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,1,0,0,0|3,0,0]=4 886 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,1,0,0,0|3,0,0]=4 887 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,1,0,0,0|3,0,0]=4 888 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,1,0,0,0|3,0,0]=4 889 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,1,0,0,0|3,0,0]=4 890 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,1,0,0,0|2,0,0]=3 891 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,0,1,0,0,0|2,0,1]=4 892 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,1,0,0,0|2,0,0]=3 893 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,1,0,0,0|2,0,0]=3 894 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,1,0,0,0|2,0,0]=3 895 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,1,0,0,0|2,0,0]=3 896 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,0,1,0,0,0|2,0,1]=4 897 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,0,1,0,0,0|2,0,1]=4 898 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,1,0,0,0|3,0,0]=4 899 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,1,0,0,0|3,0,0]=4 900 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,1,0,0,0|3,0,0]=4 901 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,1,0,0,0|3,0,0]=4 902 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,1,0,0,0|3,0,0]=4 903 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,1,0,0,0|3,0,0]=4 904 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,0,1,0,0,0|3,0,0]=4 905 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,0,1,0,0,0|3,0,0]=4 906 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,1,0,0,0|2,0,0]=3 907 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,1,0,0,0|3,0,0]=4 908 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,1,0,0,0|3,0,0]=4 909 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,0,1,0,0,0|3,0,0]=4 910 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,0,1,0,0,0|3,0,0]=4 911 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,1,0,0,0|3,0,0]=4 912 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,0,1,0,0,0|2,0,1]=4 913 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,0,1,0,0,0|3,0,0]=4 914 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,0,1,0,0,0|3,0,0]=4 915 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,0,1,0,0,0|2,0,1]=4 916 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,0,1,0,0,0|2,0,1]=4 917 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,0,1,0,0,0|3,0,0]=4 918 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,1,0,0,0|3,0,0]=4 919 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,1,0,0,0|3,0,0]=4 920 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,0,1,0,0,0|3,0,0]=4 921 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,0,1,0,0,0|3,0,0]=4 922 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,0,1,0,0,0|2,0,1]=4 923 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,0,1,0,0,0|2,0,1]=4 924 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,1,0,0,0|2,0,0]=3 925 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,1,0,0,0|2,0,0]=3 926 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 927 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 928 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 929 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,1,0,0,0|3,0,0]=4 930 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,1,0,0,0|3,0,0]=4 931 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,1,0,0,0|3,0,0]=4 932 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,1,0,0,0|3,0,0]=4 933 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,1,0,0,0|3,0,0]=4 934 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,0,1,0,0,0|3,0,0]=4 935 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,0,1,0,0,0|3,0,0]=4 936 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,1,0,0,0|2,0,0]=3 937 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,1,0,0,0|3,0,0]=4 938 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,0,1,0,0,0|3,0,0]=4 939 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,0,1,0,0,0|3,0,0]=4 940 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,0,1,0,0,0|3,0,0]=4 941 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,0,1,0,0,0|3,0,0]=4 942 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,0,1,0,0,0|2,0,1]=4 943 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,0,1,0,0,0|3,0,0]=4 944 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,0,1,0,0,0|3,0,0]=4 945 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,0,1,0,0,0|2,0,1]=4 946 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,0,1,0,0,0|2,0,1]=4 947 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,0,1,0,0,0|3,0,0]=4 948 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,1,0,0,0|3,0,0]=4 949 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,0,1,0,0,0|3,0,0]=4 950 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,1,0,0,0|3,0,0]=4 951 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,1,0,0,0|3,0,0]=4 952 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,0,1,0,0,0|3,0,0]=4 953 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,0,1,0,0,0|3,0,0]=4 954 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,0,1,0,0,0|2,0,1]=4 955 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,0,1,0,0,0|3,0,0]=4 956 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,0,1,0,0,0|3,0,0]=4 957 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,0,1,0,0,0|3,0,0]=4 958 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,0,1,0,0,0|3,0,0]=4 959 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,0,1,0,0,0|3,0,0]=4 960 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,0,1,0,0,0|3,0,0]=4 961 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,0,1,0,0,0|3,0,0]=4 962 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,0,1,0,0,0|3,0,0]=4 963 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,0,1,0,0,0|3,0,0]=4 964 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,0,1,0,0,0|3,0,0]=4 965 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,0,1,0,0,0|3,0,0]=4 966 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,0,1,0,0,0|3,0,0]=4 967 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,0,1,0,0,0|3,0,0]=4 968 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,0,1,0,0,0|3,0,0]=4 969 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,0,1,0,0,0|3,0,0]=4 970 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,0,1,0,0,0|3,0,0]=4 971 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,0,1,0,0,0|3,0,0]=4 972 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,0,1,0,0,0|3,0,0]=4 973 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,0,1,0,0,0|3,0,0]=4 974 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,0,1,0,0,0|3,0,0]=4 975 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,0,1,0,0,0|3,0,0]=4 976 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,0,1,0,0,0|3,0,0]=4 977 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,0,1,0,0,0|3,0,0]=4 978 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,0,1,0,0,0|3,0,0]=4 979 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,0,1,0,0,0|3,0,0]=4 980 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,0,1,0,0,0|3,0,0]=4 981 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,0,1,0,0,0|3,0,0]=4 982 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,0,1,0,0,0|2,0,1]=4 983 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,0,1,0,0,0|3,0,0]=4 984 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,1,0,0,0|2,0,0]=3 985 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,1,0,0,0|2,0,0]=3 986 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,0,1,0,0,0|3,0,0]=4 987 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,0,1,0,0,0|3,0,0]=4 988 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,0,1,0,0,0|2,0,1]=4 989 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,0,1,0,0,0|2,0,1]=4 990 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,0,1,0,0,0|2,0,1]=4 991 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,0,1,0,0,0|2,0,1]=4 992 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,0,1,0,0,0|2,0,1]=4 993 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,0,1,0,0,0|2,0,1]=4 994 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,0,1,0,0,0|2,0,1]=4 995 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,0,1,0,0,0|2,0,1]=4 996 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,1,0,0,0|2,0,0]=3 997 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,1,0,0,0|3,0,0]=4 998 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,1,0,0,0|2,0,0]=3 999 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,1,0,0,0|2,0,0]=3 1000 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,1,0,0,0|2,0,0]=3 1001 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,1,0,0,0|2,0,0]=3 1002 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,0,1,0,0,0|2,0,1]=4 1003 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,0,1,0,0,0|2,0,1]=4 1004 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,0,1,0,0,0|2,0,1]=4 1005 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,0,1,0,0,0|2,0,1]=4 1006 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,0,1,0,0,0|3,0,0]=4 1007 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,0,1,0,0,0|3,0,0]=4 1008 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,0,1,0,0,0|3,0,0]=4 1009 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,0,1,0,0,0|3,0,0]=4 1010 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,0,1,0,0,0|3,0,0]=4 1011 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,0,1,0,0,0|3,0,0]=4 1012 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,0,1,0,0,0|3,0,0]=4 1013 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,0,1,0,0,0|3,0,0]=4 1014 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,0,1,0,0,0|3,0,0]=4 1015 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,0,1,0,0,0|3,0,0]=4 1016 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [0,0,1,0,0,0|3,0,0]=4 1017 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [0,0,1,0,0,0|3,0,0]=4 1018 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [0,0,1,0,0,0|2,0,1]=4 1019 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,0,1,0,0,0|2,0,1]=4 1020 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,0,1,0,0,0|2,0,1]=4 1021 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,0,1,0,0,0|1,0,1]=3 1022 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,0,1,0,0,0|1,0,1]=3 1023 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,0,1,0,0,0|1,0,1]=3 1024 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,0,1,0,0,0|1,0,1]=3 1025 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,0,1,0,0,0|1,1,1]=4 1026 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,0,1,0,0,0|1,1,1]=4 1027 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,0,1,0,0,0|1,1,1]=4 1028 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,0,1,0,0,0|1,1,1]=4 1029 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,0,1,0,0,0|2,0,0]=3 1030 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,0,1,0,0,0|2,0,0]=3 1031 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,0,1,0,0,0|3,0,0]=4 1032 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,0,1,0,0,0|3,0,0]=4 1033 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,0,1,0,0,0|2,0,1]=4 1034 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,0,1,0,0,0|2,0,1]=4 1035 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,0,1,0,0,0|2,0,1]=4 1036 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,0,1,0,0,0|2,0,1]=4 1037 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,0,1,0,0,0|2,0,1]=4 1038 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200000210301 [0,0,0,1,0,0|3,0,0]=4 1039 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200000210301 [0,0,0,1,0,0|3,0,0]=4 1040 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200000210301 [0,0,0,1,0,0|3,0,0]=4 1041 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200025704644 [0,0,0,1,0,0|3,0,0]=4 1042 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200025704644 [0,0,0,1,0,0|3,0,0]=4 1043 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 34a_100102946302_200025704644 [0,0,0,1,0,0|3,0,0]=4 1044 B10R2.14 CN1CCC(C1)C2CC2 2230a_100000695110_200000210301 [0,0,0,1,0,0|3,0,0]=4 1045 B10R2.14 CN1CCC(C1)C2CC2 269982a_100000695110_200000210301 [0,0,0,1,0,0|3,0,0]=4 1046 B10R2.14 CN1CCC(C1)C2CC2 34a_100000695110_200000210301 [0,0,0,1,0,0|3,0,0]=4 1047 B10R2.14 [13CH3]N1CCC(C1)C2CC2 2230a_100000695110_200025704644 [0,0,0,1,0,0|3,0,0]=4 1048 B10R2.14 [13CH3]N1CCC(C1)C2CC2 269982a_100000695110_200025704644 [0,0,0,1,0,0|3,0,0]=4 1049 B10R2.14 [13CH3]N1CCC(C1)C2CC2 34a_100000695110_200025704644 [0,0,0,1,0,0|3,0,0]=4 1050 B10R2.71 CN1CC2CCC(C1)O2 2230a_100015188616_200000210301 [0,0,0,1,0,0|2,0,1]=4 1051 B10R2.71 CN1CC2CCC(C1)O2 269982a_100015188616_200000210301 [0,0,0,1,0,0|2,0,1]=4 1052 B10R2.71 CN1CC2CCC(C1)O2 34a_100015188616_200000210301 [0,0,0,1,0,0|2,0,1]=4 1053 B10R2.71 [13CH3]N1CC2CCC(C1)O2 2230a_100015188616_200025704644 [0,0,0,1,0,0|2,0,1]=4 1054 B10R2.71 [13CH3]N1CC2CCC(C1)O2 269982a_100015188616_200025704644 [0,0,0,1,0,0|2,0,1]=4 1055 B10R2.71 [13CH3]N1CC2CCC(C1)O2 34a_100015188616_200025704644 [0,0,0,1,0,0|2,0,1]=4 1056 B10R2.332 CN1CCC2(C1)CCC2 2230a_100000686913_200000210301 [0,0,0,1,0,0|3,0,0]=4 1057 B10R2.332 CN1CCC2(C1)CCC2 269982a_100000686913_200000210301 [0,0,0,1,0,0|3,0,0]=4 1058 B10R2.332 CN1CCC2(C1)CCC2 34a_100000686913_200000210301 [0,0,0,1,0,0|3,0,0]=4 1059 B10R2.332 [13CH3]N1CCC2(C1)CCC2 2230a_100000686913_200025704644 [0,0,0,1,0,0|3,0,0]=4 1060 B10R2.332 [13CH3]N1CCC2(C1)CCC2 269982a_100000686913_200025704644 [0,0,0,1,0,0|3,0,0]=4 1061 B10R2.332 [13CH3]N1CCC2(C1)CCC2 34a_100000686913_200025704644 [0,0,0,1,0,0|3,0,0]=4 1062 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,0,0,0,1,0|3,0,0]=4 1063 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,0,0,0,1,0|3,0,0]=4 1064 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,0,0,0,1,0|3,0,0]=4 1065 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,0,0,0,1,0|3,0,0]=4 1066 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [0,0,0,0,1,0|3,0,0]=4 1067 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [0,0,0,0,1,0|3,0,0]=4 1068 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [0,0,0,0,1,0|3,0,0]=4 1069 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,0,0,0,1,0|2,0,0]=3 1070 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,0,0,0,1,0|2,0,0]=3 1071 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,0,0,0,1,0|2,0,0]=3 1072 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,0,0,0,1,0|2,0,0]=3 1073 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,0,0,0,1,0|2,0,0]=3 1074 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,0,0,0,1,0|2,0,0]=3 1075 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,0,0,0,1,0|3,0,0]=4 1076 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,0,0,0,1,0|2,0,0]=3 1077 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,0,0,0,1,0|2,0,0]=3 1078 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,0,0,0,1,0|2,0,0]=3 1079 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,0,0,0,1,0|2,0,1]=4 1080 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,0,0,0,1,0|2,0,1]=4 1081 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,0,1,0|1,0,0]=2 1082 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,0,1,0|1,0,0]=2 1083 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,0,1,0|1,0,0]=2 1084 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [0,0,0,0,1,0|3,0,0]=4 1085 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [0,0,0,0,1,0|3,0,0]=4 1086 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [0,0,0,0,1,0|3,0,0]=4 1087 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [0,0,0,0,1,0|3,0,0]=4 1088 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [0,0,0,0,1,0|3,0,0]=4 1089 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [0,0,0,0,1,0|3,0,0]=4 1090 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,0,0,0,1,0|2,0,0]=3 1091 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,0,0,0,1,0|2,0,0]=3 1092 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [0,0,0,0,0,1|3,0,0]=4 1093 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [0,0,0,0,0,1|3,0,0]=4 1094 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,0,0,0,0,1|3,0,0]=4 1095 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [0,0,0,0,0,1|3,0,0]=4 1096 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [0,0,0,0,0,1|3,0,0]=4 1097 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [0,0,0,0,0,1|3,0,0]=4 1098 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,0,0,0,0,1|3,0,0]=4 1099 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,0,0,0,0,1|3,0,0]=4 1100 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,0,0,0,0,1|3,0,0]=4 1101 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,0,0,0,0,1|3,0,0]=4 1102 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,0,0,0,0,1|3,0,0]=4 1103 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,0,0,0,0,1|3,0,0]=4 1104 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [0,0,0,0,0,1|3,0,0]=4 1105 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [0,0,0,0,0,1|3,0,0]=4 1106 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [0,0,0,0,0,1|3,0,0]=4 1107 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [0,0,0,0,0,1|3,0,0]=4 1108 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [0,0,0,0,0,1|3,0,0]=4 1109 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,0,0,0,0,1|2,0,0]=3 1110 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,0,0,0,0,1|2,0,0]=3 1111 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,0,0,0,0,1|2,0,0]=3 1112 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,0,0,0,0,1|2,0,0]=3 1113 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,0,0,0,0,1|2,0,0]=3 1114 B10R1.1 CCOC1CNC(=O)NC1 34a_100000080929_100000210202 [0,0,0,0,0,1|3,0,0]=4 1115 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,0,0,0,0,1|2,0,0]=3 1116 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,0,0,0,0,1|3,0,0]=4 1117 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,0,0,0,0,1|3,0,0]=4 1118 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [0,0,0,0,0,1|3,0,0]=4 1119 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,0,0,0,0,1|3,0,0]=4 1120 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,0,0,0,0,1|2,0,0]=3 1121 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [0,0,0,0,0,1|3,0,0]=4 1122 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [0,0,0,0,0,1|3,0,0]=4 1123 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [0,0,0,0,0,1|3,0,0]=4 1124 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,0,0,0,0,1|2,0,0]=3 1125 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,0,0,0,1|2,0,0]=3 1126 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,0,0,0,0,1|2,0,0]=3 1127 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,0,0,0,0,1|2,0,0]=3 1128 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,0,0,0,0,1|3,0,0]=4 1129 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,0,0,1|2,0,0]=3 1130 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,0,0,0,0,1|2,0,0]=3 1131 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,0,0,0,0,1|2,0,0]=3 1132 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,0,0,0,0,1|2,0,0]=3 1133 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,0,0,0,0,1|2,0,0]=3 1134 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,0,0,0,0,1|3,0,0]=4 1135 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,0,0,0,0,1|3,0,0]=4 1136 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,0,0,0,0,1|3,0,0]=4 1137 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,0,0,0,0,1|3,0,0]=4 1138 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,0,0,0,0,1|3,0,0]=4 1139 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,0,0,0,0,1|3,0,0]=4 1140 B10R1.10 O=C1CN(CCN1)CCF 2230a_100000184651_100011217306 [0,0,0,0,0,1|3,0,0]=4 1141 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [0,0,0,0,0,1|3,0,0]=4 1142 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,0,0,0,0,1|3,0,0]=4 1143 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,0,0,0,0,1|3,0,0]=4 1144 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,0,0,0,0,1|3,0,0]=4 1145 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,0,0,0,0,1|2,0,0]=3 1146 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,0,0,0,0,1|2,0,0]=3 1147 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,0,0,0,0,1|2,0,0]=3 1148 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,1,0,0,0|2,0,0]=4 1149 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,1,0,0,0|2,0,0]=4 1150 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,1,0,0,0|2,0,0]=4 1151 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,1,0,0,0|2,0,0]=4 1152 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,1,0,0,0|2,0,0]=4 1153 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,1,0,0,0|2,0,0]=4 1154 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,1,0,0,0|2,0,0]=4 1155 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 1156 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,1,0,0,0|2,0,0]=4 1157 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 1158 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 1159 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 1160 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,1,0,0,0|2,0,0]=4 1161 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,1,0,0,0|2,0,0]=4 1162 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,1,0,0,0|2,0,0]=4 1163 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,1,0,0,0|2,0,0]=4 1164 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,1,0,0,0|2,0,0]=4 1165 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,1,0,0,0|2,0,0]=4 1166 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,1,0,0,0|2,0,0]=4 1167 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,1,0,0,0|2,0,0]=4 1168 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,1,0,0,0|2,0,0]=4 1169 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,1,0,0,0|2,0,0]=4 1170 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,1,0,0,0|2,0,0]=4 1171 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,1,0,0,0|2,0,0]=4 1172 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,1,0,0,0|2,0,0]=4 1173 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,1,0,0,0|2,0,0]=4 1174 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,1,0,0,0|2,0,0]=4 1175 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,1,0,0,0|2,0,0]=4 1176 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,1,0,0,0|2,0,0]=4 1177 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,1,0,0,0|2,0,0]=4 1178 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,1,0,0,0|2,0,0]=4 1179 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,1,0,0,0|2,0,0]=4 1180 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,1,0,0,0|2,0,0]=4 1181 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,1,0,0,0|2,0,0]=4 1182 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,1,0,0,0|2,0,0]=4 1183 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,1,0,0,0|2,0,0]=4 1184 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,1,0,0,0|2,0,0]=4 1185 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,1,0,0,0|2,0,0]=4 1186 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,1,0,0,0|2,0,0]=4 1187 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,1,0,0,0|2,0,0]=4 1188 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,1,0,0,0|2,0,0]=4 1189 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,1,0,0,0|2,0,0]=4 1190 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,1,0,0,0|2,0,0]=4 1191 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,1,0,0,0|2,0,0]=4 1192 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,1,0,0,0|2,0,0]=4 1193 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,1,0,0,0|2,0,0]=4 1194 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,1,0,0,0|2,0,0]=4 1195 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,1,0,0,0|2,0,0]=4 1196 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,1,0,0,0|2,0,0]=4 1197 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,1,0,0,0|2,0,0]=4 1198 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,1,0,0,0|2,0,0]=4 1199 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,1,0,0,0|2,0,0]=4 1200 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,1,0,0,0|2,0,0]=4 1201 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,1,0,0,0|2,0,0]=4 1202 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,1,0,0,0|2,0,0]=4 1203 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,1,0,0,0|2,0,0]=4 1204 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,1,0,0,0|2,0,0]=4 1205 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,1,0,0,0|2,0,0]=4 1206 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,1,0,0,0|2,0,0]=4 1207 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,1,0,0,0|2,0,0]=4 1208 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,1,0,0,0|2,0,0]=4 1209 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,1,0,0,0|2,0,0]=4 1210 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,1,0,0,0|2,0,0]=4 1211 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,1,0,0,0|2,0,0]=4 1212 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,1,0,0,0|2,0,0]=4 1213 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,1,0,0,0|2,0,0]=4 1214 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,1,0,0,0|2,0,0]=4 1215 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,1,0,0,0|2,0,0]=4 1216 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,1,0,0,0|2,0,0]=4 1217 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,1,0,0,0|2,0,0]=4 1218 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,1,0,0,0|2,0,0]=4 1219 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,1,0,0,0|2,0,0]=4 1220 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,1,0,0,0|2,0,0]=4 1221 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,1,0,0,0|2,0,0]=4 1222 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,1,0,0,0|2,0,0]=4 1223 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,1,0,0,0|2,0,0]=4 1224 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,1,0,0,0|1,0,0]=3 1225 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,1,0,0,0|1,0,0]=3 1226 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,1,0,0,0|1,0,1]=4 1227 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,1,0,0,0|1,0,1]=4 1228 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,1,0,0,0|1,0,1]=4 1229 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,1,0,0,0|1,0,1]=4 1230 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,1,0,0,0|1,0,1]=4 1231 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,1,0,0,0|1,0,1]=4 1232 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,1,0,0,0|1,0,0]=3 1233 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,1,0,0,0|1,0,0]=3 1234 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,1,0,0,0|1,0,1]=4 1235 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,1,0,0,0|0,0,1]=3 1236 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,1,0,0,0|0,0,1]=3 1237 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,1,0,0,0|0,0,1]=3 1238 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,1,0,0,0|1,0,1]=4 1239 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,1,0,0,0|1,0,1]=4 1240 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,1,0,0,0|1,0,1]=4 1241 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,1,0,0,0|1,0,1]=4 1242 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,1,0,0,0|1,0,1]=4 1243 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,1,0,0,0|1,0,1]=4 1244 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,1,0,0,0|1,0,1]=4 1245 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,1,0,0,0|1,0,1]=4 1246 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,1,0,0,0|1,0,1]=4 1247 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,1,0,0,0|1,0,1]=4 1248 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,1,0,0,0|1,0,1]=4 1249 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,1,0,0,0|1,0,1]=4 1250 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,1,0,0,0|1,0,1]=4 1251 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,1,0,0,0|1,0,0]=3 1252 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,1,0,0,0|1,0,0]=3 1253 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,1,0,0,0|0,1,1]=4 1254 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,1,0,0,0|0,1,1]=4 1255 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,1,0,0,0|1,0,1]=4 1256 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,1,0,0,0|1,0,1]=4 1257 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,1,0,0,0|1,0,1]=4 1258 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,1,0,0,0|1,0,1]=4 1259 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,1,0,0,0|1,0,1]=4 1260 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,1,0,0,0|1,0,1]=4 1261 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,1,0,0,0|1,0,1]=4 1262 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,1,0,0,0|1,0,1]=4 1263 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,1,0,0,0|1,0,1]=4 1264 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,1,0,0,0|1,0,1]=4 1265 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,1,0,0,0|1,0,1]=4 1266 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,1,0,0,0|1,0,1]=4 1267 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,1,0,0,0|1,0,1]=4 1268 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,1,0,0,0|1,0,1]=4 1269 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,1,0,0,0|1,0,1]=4 1270 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,1,0,0,0|1,0,1]=4 1271 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,1,0,0,0|1,0,1]=4 1272 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,1,0,0,0|1,0,1]=4 1273 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,1,0,0,0|1,0,1]=4 1274 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,1,0,0,0|1,0,1]=4 1275 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,1,0,0,0|1,0,1]=4 1276 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,1,0,0,0|1,0,1]=4 1277 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,1,0,0,0|1,0,1]=4 1278 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,1,0,0,0|1,0,1]=4 1279 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,1,0,0,0|1,0,1]=4 1280 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,1,0,0,0|1,0,1]=4 1281 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,1,0,0,0|1,0,1]=4 1282 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,1,0,0,0|1,0,1]=4 1283 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,1,0,0,0|1,0,1]=4 1284 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,1,0,0,0|1,0,1]=4 1285 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,1,0,0,0|1,0,1]=4 1286 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,1,0,0,0|1,0,0]=3 1287 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,1,0,0,0|1,0,1]=4 1288 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,1,0,0,0|1,0,1]=4 1289 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,1,0,0,0|1,0,1]=4 1290 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,1,0,0,0|1,0,1]=4 1291 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,1,0,0,0|2,0,0]=4 1292 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,1,0,0,0|2,0,0]=4 1293 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,1,0,0,0|1,0,0]=3 1294 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,1,0,0,0|1,0,0]=3 1295 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,1,0,0,0|1,0,1]=4 1296 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,1,0,0,0|1,0,1]=4 1297 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,1,0,0,0|1,0,0]=3 1298 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,1,0,0,0|1,0,0]=3 1299 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,1,0,0,0|1,0,1]=4 1300 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,1,0,0,0|1,0,1]=4 1301 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,1,0,0,0|1,0,1]=4 1302 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,1,0,0,0|1,0,1]=4 1303 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,1,0,0,0|1,0,1]=4 1304 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,1,0,0,0|1,0,1]=4 1305 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,1,0,0,0|2,0,0]=4 1306 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,1,0,0,0|2,0,0]=4 1307 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,1,0,0,0|2,0,0]=4 1308 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,1,0,0,0|2,0,0]=4 1309 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,1,0,0,0|1,0,0]=3 1310 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,1,0,0,0|1,0,0]=3 1311 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,1,0,0,0|1,0,1]=4 1312 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,1,0,0,0|1,0,1]=4 1313 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,1,0,0,0|2,0,0]=4 1314 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,1,0,0,0|2,0,0]=4 1315 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,1,0,0,0|2,0,0]=4 1316 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,1,0,0,0|2,0,0]=4 1317 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,1,0,0,0|2,0,0]=4 1318 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,1,0,0,0|2,0,0]=4 1319 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,1,0,0,0|2,0,0]=4 1320 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,1,0,0,0|2,0,0]=4 1321 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,1,0,0,0|2,0,0]=4 1322 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,1,0,0,0|2,0,0]=4 1323 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,1,0,0,0|2,0,0]=4 1324 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,1,0,0,0|2,0,0]=4 1325 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,1,0,0,0|2,0,0]=4 1326 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,1,0,0,0|2,0,0]=4 1327 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,1,0,0,0|2,0,0]=4 1328 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,1,0,0,0|2,0,0]=4 1329 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,1,0,0,0|2,0,0]=4 1330 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,1,0,0,0|1,0,1]=4 1331 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,1,0,0,0|1,0,1]=4 1332 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,1,0,0,0|1,0,0]=3 1333 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,1,0,0,0|1,0,0]=3 1334 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,1,0,0,0|1,0,1]=4 1335 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,1,0,0,0|1,0,1]=4 1336 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,1,0,0,0|0,0,2]=4 1337 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,1,0,0,0|0,0,2]=4 1338 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,1,0,0,0|0,0,2]=4 1339 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,1,0,0,0|0,0,2]=4 1340 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,1,0,0,0|0,0,2]=4 1341 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,1,0,0,0|0,0,2]=4 1342 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,1,0,0,0|0,0,2]=4 1343 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,1,0,0,0|0,0,2]=4 1344 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,1,0,0,0|0,0,2]=4 1345 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,1,0,0,0|0,0,2]=4 1346 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,1,0,0,0|0,0,2]=4 1347 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,1,0,0,0|1,0,1]=4 1348 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,1,0,0,0|1,0,1]=4 1349 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,1,0,0,0|1,0,0]=3 1350 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,1,0,0,0|1,0,0]=3 1351 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,1,0,0,0|1,0,0]=3 1352 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,1,0,0,0|1,0,0]=3 1353 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,1,0,0,0|1,0,0]=3 1354 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,1,0,0,0|1,0,0]=3 1355 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,1,0,0,0|2,0,0]=4 1356 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,1,0,0,0|2,0,0]=4 1357 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,1,0,0,0|2,0,0]=4 1358 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,1,0,0,0|2,0,0]=4 1359 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,1,0,0,0|2,0,0]=4 1360 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,1,0,0,0|2,0,0]=4 1361 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,1,0,0,0|2,0,0]=4 1362 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,1,0,0,0|2,0,0]=4 1363 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,1,0,0,0|2,0,0]=4 1364 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,0,1,0,0,0|2,0,0]=4 1365 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,0,1,0,0,0|2,0,0]=4 1366 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,0,1,0,0,0|2,0,0]=4 1367 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,0,1,0,0,0|2,0,0]=4 1368 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|0,0,2]=4 1369 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|0,0,0]=2 1370 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|0,0,0]=2 1371 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,1,0,0,0|1,0,0]=3 1372 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,1,0,0,0|1,0,0]=3 1373 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,1,0,0,0|1,0,0]=3 1374 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,1,0,0,0|1,0,0]=3 1375 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,1,0,0,0|1,0,0]=3 1376 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,1,0,0,0|1,0,0]=3 1377 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,1,0,0,0|2,0,0]=4 1378 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,1,0,0,0|2,0,0]=4 1379 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,1,0,0,0|2,0,0]=4 1380 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,1,0,0,0|2,0,0]=4 1381 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,1,0,0,0|2,0,0]=4 1382 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,1,0,0,0|2,0,0]=4 1383 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,1,0,0,0|2,0,0]=4 1384 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,1,0,0,0|2,0,0]=4 1385 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,1,0,0,0|1,0,0]=3 1386 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,1,0,0,0|1,0,0]=3 1387 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,1,0,0,0|1,0,0]=3 1388 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,1,0,0,0|1,0,0]=3 1389 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,1,0,0,0|2,0,0]=4 1390 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,1,0,0,0|2,0,0]=4 1391 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,1,0,0,0|2,0,0]=4 1392 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,1,0,0,0|2,0,0]=4 1393 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,1,0,0,0|2,0,0]=4 1394 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,1,0,0,0|2,0,0]=4 1395 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,1,0,0,0|2,0,0]=4 1396 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,1,0,0,0|2,0,0]=4 1397 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,1,0,0,0|1,0,1]=4 1398 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,1,0,0,0|1,0,1]=4 1399 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,1,0,0,0|2,0,0]=4 1400 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,1,0,0,0|2,0,0]=4 1401 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,1,0,0,0|2,0,0]=4 1402 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,1,0,0,0|2,0,0]=4 1403 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,1,0,0,0|1,0,0]=3 1404 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,1,0,0,0|1,0,0]=3 1405 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,1,0,0,0|2,0,0]=4 1406 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,1,0,0,0|2,0,0]=4 1407 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,1,0,0,0|2,0,0]=4 1408 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,1,0,0,0|2,0,0]=4 1409 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,1,0,0,0|2,0,0]=4 1410 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,1,0,0,0|2,0,0]=4 1411 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,1,0,0,0|2,0,0]=4 1412 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,1,0,0,0|2,0,0]=4 1413 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,1,0,0,0|1,0,0]=3 1414 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,1,0,0,0|1,0,0]=3 1415 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,1,0,0,0|1,0,0]=3 1416 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,1,0,0,0|2,0,0]=4 1417 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,1,0,0,0|2,0,0]=4 1418 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,1,0,0,0|2,0,0]=4 1419 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,1,0,0,0|2,0,0]=4 1420 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,1,0,0,0|2,0,0]=4 1421 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,1,0,0,0|2,0,0]=4 1422 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,1,0,0,0|2,0,0]=4 1423 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,1,0,0,0|2,0,0]=4 1424 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,1,0,0,0|2,0,0]=4 1425 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,1,0,0,0|2,0,0]=4 1426 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,1,0,0,0|2,0,0]=4 1427 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,1,0,0,0|2,0,0]=4 1428 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,1,0,0,0|2,0,0]=4 1429 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,1,0,0,0|2,0,0]=4 1430 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,1,0,0,0|2,0,0]=4 1431 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,1,0,0,0|2,0,0]=4 1432 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,1,0,0,0|2,0,0]=4 1433 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,1,0,0,0|2,0,0]=4 1434 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,1,0,0,0|2,0,0]=4 1435 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,1,0,0,0|2,0,0]=4 1436 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,1,0,0,0|2,0,0]=4 1437 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,1,0,0,0|2,0,0]=4 1438 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,1,0,0,0|2,0,0]=4 1439 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,1,0,0,0|2,0,0]=4 1440 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,1,0,0,0|2,0,0]=4 1441 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,1,0,0,0|2,0,0]=4 1442 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,1,0,0,0|2,0,0]=4 1443 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,1,0,0,0|2,0,0]=4 1444 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,1,0,0,0|2,0,0]=4 1445 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,1,0,0,0|2,0,0]=4 1446 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,1,0,0,0|2,0,0]=4 1447 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,1,0,0,0|2,0,0]=4 1448 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,1,0,0,0|2,0,0]=4 1449 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,1,0,0,0|2,0,0]=4 1450 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,1,0,0,0|2,0,0]=4 1451 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,1,0,0,0|2,0,0]=4 1452 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,1,0,0,0|2,0,0]=4 1453 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,1,0,0,0|2,0,0]=4 1454 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,1,0,0,0|2,0,0]=4 1455 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,1,0,0,0|2,0,0]=4 1456 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,1,0,0,0|2,0,0]=4 1457 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,1,0,0,0|2,0,0]=4 1458 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,1,0,0,0|2,0,0]=4 1459 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,1,0,0,0|2,0,0]=4 1460 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,1,0,0,0|2,0,0]=4 1461 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,1,0,0,0|2,0,0]=4 1462 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,1,0,0,0|2,0,0]=4 1463 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,0,1,0,0,0|2,0,0]=4 1464 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,0,1,0,0,0|2,0,0]=4 1465 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,0,1,0,0,0|2,0,0]=4 1466 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,0,1,0,0,0|2,0,0]=4 1467 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,0,1,0,0,0|2,0,0]=4 1468 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,0,1,0,0,0|2,0,0]=4 1469 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,0,1,0,0,0|2,0,0]=4 1470 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,0,1,0,0,0|2,0,0]=4 1471 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,0,1,0,0,0|2,0,0]=4 1472 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,0,1,0,0,0|2,0,0]=4 1473 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,0,1,0,0,0|2,0,0]=4 1474 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,0,1,0,0,0|2,0,0]=4 1475 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,0,1,0,0,0|2,0,0]=4 1476 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,0,1,0,0,0|2,0,0]=4 1477 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,0,1,0,0,0|1,0,1]=4 1478 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,0,1,0,0,0|1,0,1]=4 1479 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,0,1,0,0,0|1,0,1]=4 1480 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,1,0,0,0|0,0,1]=3 1481 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,1,0,0,0|0,0,1]=3 1482 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,1,0,0,0|0,0,1]=3 1483 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,0,1,0,0,0|1,0,1]=4 1484 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,0,1,0,0,0|1,0,1]=4 1485 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,0,1,0,0,0|0,1,1]=4 1486 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,0,1,0,0,0|0,1,1]=4 1487 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,0,1,0,0,0|2,0,0]=4 1488 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,0,1,0,0,0|2,0,0]=4 1489 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,0,1,0,0,0|1,0,1]=4 1490 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,0,1,0,0,0|1,0,1]=4 1491 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,0,1,0,0,0|1,0,1]=4 1492 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,0,1,0,0,0|1,0,1]=4 1493 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,1,0,0,0|2,0,0]=4 1494 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,0,1,0,0,0|2,0,0]=4 1495 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,0,1,0,0,0|2,0,0]=4 1496 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,0,1,0,0,0|2,0,0]=4 1497 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,0,1,0,0,0|2,0,0]=4 1498 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,1,0,0,0|2,0,0]=4 1499 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,1,0,0,0|2,0,0]=4 1500 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,1,0,0,0|1,0,0]=3 1501 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,1,0,0,0|1,0,0]=3 1502 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,1,0,0,0|1,0,1]=4 1503 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,1,0,0,0|1,0,1]=4 1504 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,1,0,0,0|1,0,0]=3 1505 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,1,0,0,0|1,0,0]=3 1506 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,1,0,0,0|1,0,0]=3 1507 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,1,0,0,0|1,0,0]=3 1508 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,1,0,0,0|1,0,0]=3 1509 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,1,0,0,0|1,0,0]=3 1510 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,1,0,0,0|1,0,0]=3 1511 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,0,1,0,0,0|1,0,1]=4 1512 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,0,1,0,0,0|1,0,1]=4 1513 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,1,0,0,0|2,0,0]=4 1514 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,1,0,0,0|2,0,0]=4 1515 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,1,0,0,0|2,0,0]=4 1516 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,1,0,0,0|2,0,0]=4 1517 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,1,0,0,0|2,0,0]=4 1518 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,1,0,0,0|1,0,0]=3 1519 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,1,0,0,0|1,0,0]=3 1520 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,1,0,0,0|1,0,0]=3 1521 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,1,0,0,0|2,0,0]=4 1522 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|2,0,0]=4 1523 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|2,0,0]=4 1524 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 1525 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 1526 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,1,0,0,0|2,0,0]=4 1527 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,1,0,0,0|2,0,0]=4 1528 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,1,0,0,0|2,0,0]=4 1529 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,1,0,0,0|2,0,0]=4 1530 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,1,0,0,0|2,0,0]=4 1531 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,1,0,0,0|2,0,0]=4 1532 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,1,0,0,0|2,0,0]=4 1533 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,1,0,0,0|2,0,0]=4 1534 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,1,0,0,0|2,0,0]=4 1535 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,1,0,0,0|2,0,0]=4 1536 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,1,0,0,0|2,0,0]=4 1537 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,1,0,0,0|2,0,0]=4 1538 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,1,0,0,0|1,0,0]=3 1539 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,1,0,0,0|1,0,0]=3 1540 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,1,0,0,0|2,0,0]=4 1541 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,1,0,0,0|2,0,0]=4 1542 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,1,0,0,0|1,0,1]=4 1543 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,1,0,0,0|1,0,1]=4 1544 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,1,0,0,0|1,0,1]=4 1545 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,1,0,0,0|1,0,1]=4 1546 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|1,0,0]=3 1547 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|1,0,0]=3 1548 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|1,0,0]=3 1549 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,1,0,0,0|1,0,0]=3 1550 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,1,0,0,0|1,0,0]=3 1551 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,1,0,0,0|1,0,0]=3 1552 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,1,0,0,0|1,0,0]=3 1553 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,1,0,0,0|1,0,1]=4 1554 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,1,0,0,0|1,0,1]=4 1555 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,1,0,0,0|1,0,1]=4 1556 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,1,0,0,0|2,0,0]=4 1557 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|1,0,0]=3 1558 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,1,0,0,0|2,0,0]=4 1559 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,1,0,0,0|2,0,0]=4 1560 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,1,0,0,0|2,0,0]=4 1561 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,1,0,0,0|2,0,0]=4 1562 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,1,0,0,0|2,0,0]=4 1563 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,1,0,0,0|1,0,1]=4 1564 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|2,0,0]=4 1565 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,1,0,0,0|2,0,0]=4 1566 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,1,0,0,0|2,0,0]=4 1567 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|2,0,0]=4 1568 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,1,0,0,0|1,0,1]=4 1569 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,1,0,0,0|1,0,1]=4 1570 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,1,0,0,0|2,0,0]=4 1571 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,1,0,0,0|2,0,0]=4 1572 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,1,0,0,0|2,0,0]=4 1573 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,1,0,0,0|2,0,0]=4 1574 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 1575 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 1576 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 1577 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,1,0,0,0|2,0,0]=4 1578 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 1579 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,1,0,0,0|2,0,0]=4 1580 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,1,0,0,0|1,0,0]=3 1581 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,1,0,0,0|2,0,0]=4 1582 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,1,0,0,0|2,0,0]=4 1583 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,1,0,0,0|2,0,0]=4 1584 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,1,0,0,0|2,0,0]=4 1585 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,1,0,0,0|2,0,0]=4 1586 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,1,0,0,0|2,0,0]=4 1587 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,1,0,0,0|2,0,0]=4 1588 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,1,0,0,0|1,0,0]=3 1589 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,1,0,0,0|1,0,0]=3 1590 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,1,0,0,0|2,0,0]=4 1591 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,1,0,0,0|2,0,0]=4 1592 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,1,0,0,0|2,0,0]=4 1593 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,1,0,0,0|2,0,0]=4 1594 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,1,0,0,0|2,0,0]=4 1595 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,1,0,0,0|2,0,0]=4 1596 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,1,0,0,0|2,0,0]=4 1597 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,1,0,0,0|2,0,0]=4 1598 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,1,0,0,0|1,0,0]=3 1599 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,1,0,0,0|1,0,0]=3 1600 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,1,0,0,0|2,0,0]=4 1601 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,1,0,0,0|2,0,0]=4 1602 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,1,0,0,0|2,0,0]=4 1603 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,1,0,0,0|2,0,0]=4 1604 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 1605 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,1,0,0,0|2,0,0]=4 1606 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 1607 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,1,0,0,0|2,0,0]=4 1608 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,1,0,0,0|2,0,0]=4 1609 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,1,0,0,0|2,0,0]=4 1610 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,1,0,0,0|2,0,0]=4 1611 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,1,0,0,0|2,0,0]=4 1612 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,1,0,0,0|2,0,0]=4 1613 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,1,0,0,0|1,0,0]=3 1614 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,1,0,0,0|2,0,0]=4 1615 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,1,0,0,0|2,0,0]=4 1616 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,1,0,0,0|2,0,0]=4 1617 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,1,0,0,0|2,0,0]=4 1618 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,1,0,0,0|2,0,0]=4 1619 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,1,0,0,0|2,0,0]=4 1620 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,1,0,0,0|2,0,0]=4 1621 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,1,0,0,0|2,0,0]=4 1622 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,1,0,0,0|2,0,0]=4 1623 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,1,0,0,0|2,0,0]=4 1624 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,1,0,0,0|2,0,0]=4 1625 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,1,0,0,0|2,0,0]=4 1626 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,1,0,0,0|2,0,0]=4 1627 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,1,0,0,0|2,0,0]=4 1628 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,1,0,0,0|2,0,0]=4 1629 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,1,0,0,0|1,0,0]=3 1630 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,1,0,0,0|1,0,0]=3 1631 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,1,0,0,0|2,0,0]=4 1632 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,1,0,0,0|2,0,0]=4 1633 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,1,0,0,0|2,0,0]=4 1634 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,1,0,0,0|2,0,0]=4 1635 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|2,0,0]=4 1636 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|2,0,0]=4 1637 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,1,0,0,0|2,0,0]=4 1638 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,1,0,0,0|2,0,0]=4 1639 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,1,0,0,0|2,0,0]=4 1640 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,1,0,0,0|2,0,0]=4 1641 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,1,0,0,0|2,0,0]=4 1642 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,1,0,0,0|2,0,0]=4 1643 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,0,1,0,0,0|2,0,0]=4 1644 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,0,1,0,0,0|2,0,0]=4 1645 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1646 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1647 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1648 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1649 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [1,0,1,0,0,0|1,0,1]=4 1650 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [1,0,1,0,0,0|1,0,1]=4 1651 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [1,0,1,0,0,0|1,0,1]=4 1652 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [1,0,1,0,0,0|1,0,1]=4 1653 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [1,0,1,0,0,0|1,0,1]=4 1654 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [1,0,1,0,0,0|1,0,1]=4 1655 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [1,0,1,0,0,0|1,0,1]=4 1656 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,0,1,0,0,0|1,0,1]=4 1657 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,0,1,0,0,0|1,0,1]=4 1658 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,0,1,0,0,0|1,0,1]=4 1659 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,0,1,0,0,0|1,0,1]=4 1660 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,0,1,0,0,0|0,0,1]=3 1661 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,0,1,0,0,0|0,0,1]=3 1662 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,0,1,0,0,0|0,0,1]=3 1663 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,0,1,0,0,0|0,0,1]=3 1664 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,0,1,0,0,0|0,1,1]=4 1665 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,0,1,0,0,0|0,1,1]=4 1666 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,0,1,0,0,0|0,1,1]=4 1667 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,0,1,0,0,0|0,1,1]=4 1668 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [1,0,1,0,0,0|2,0,0]=4 1669 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [1,0,1,0,0,0|2,0,0]=4 1670 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [1,0,1,0,0,0|2,0,0]=4 1671 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,0,1,0,0,0|1,0,1]=4 1672 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [2,0,0,0,0,0|1,0,1]=4 1673 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [2,0,0,0,0,0|1,0,1]=4 1674 B9R0.4 CC(C)CC(C)NCC=O 2230a_100000692259_200015260668 [0,1,1,0,0,0|2,0,0]=4 1675 B9R0.4 CC(C)CC(C)OCC=O 34a_100000211805_200009817547 [0,1,1,0,0,0|2,0,0]=4 1676 B9R0.4 CC(C)CC(C)OCC=O 7a_100000211805_200015260668 [0,1,1,0,0,0|2,0,0]=4 1677 B9R0.4 CC(C)CC(C)SCC=O 62a_100000731052_200015260668 [0,1,1,0,0,0|2,0,0]=4 1678 B9R0.4 CC(C)CC(C)SCC=O 62a_200015260668_100000731052 [0,1,1,0,0,0|2,0,0]=4 1679 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [0,1,1,0,0,0|2,0,0]=4 1680 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [0,1,1,0,0,0|2,0,0]=4 1681 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [0,1,1,0,0,0|2,0,0]=4 1682 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [0,1,1,0,0,0|2,0,0]=4 1683 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [0,1,1,0,0,0|2,0,0]=4 1684 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [0,1,1,0,0,0|2,0,0]=4 1685 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [0,1,1,0,0,0|2,0,0]=4 1686 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [0,1,1,0,0,0|2,0,0]=4 1687 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [0,1,1,0,0,0|2,0,0]=4 1688 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [0,1,1,0,0,0|2,0,0]=4 1689 B9R0.5 C=CCNCC(O)COC 2230a_100000756049_100000210623 [0,1,1,0,0,0|2,0,0]=4 1690 B9R0.5 C=CCNCC(O)COC 34a_100000756049_100015514636 [0,1,1,0,0,0|2,0,0]=4 1691 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [0,1,1,0,0,0|2,0,0]=4 1692 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [0,1,1,0,0,0|2,0,0]=4 1693 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [0,1,1,0,0,0|2,0,0]=4 1694 B9R0.5 C=CCOCC(O)COC 34a_200000210373_100011215053 [0,1,1,0,0,0|2,0,0]=4 1695 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [0,1,1,0,0,0|2,0,0]=4 1696 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [0,1,1,0,0,0|2,0,0]=4 1697 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [0,1,1,0,0,0|2,0,0]=4 1698 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [0,1,1,0,0,0|2,0,0]=4 1699 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [0,1,1,0,0,0|2,0,0]=4 1700 B9R0.5 CC(CCN)COCC=O 34a_106354213184_200009817547 [0,1,1,0,0,0|2,0,0]=4 1701 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,1,1,0,0,0|0,0,2]=4 1702 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,1,1,0,0,0|0,0,2]=4 1703 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [0,1,1,0,0,0|1,0,0]=3 1704 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [0,1,1,0,0,0|1,0,0]=3 1705 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [0,1,1,0,0,0|1,0,0]=3 1706 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [0,1,1,0,0,0|1,0,0]=3 1707 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [0,1,1,0,0,0|2,0,0]=4 1708 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [0,1,1,0,0,0|2,0,0]=4 1709 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [0,1,1,0,0,0|1,0,0]=3 1710 B9R0.5 COCC(N)COCC=O 34a_100000724102_200009817547 [0,1,1,0,0,0|2,0,0]=4 1711 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [0,1,1,0,0,0|1,0,0]=3 1712 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [0,1,1,0,0,0|1,0,0]=3 1713 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [0,1,1,0,0,0|1,0,0]=3 1714 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [0,1,1,0,0,0|1,0,0]=3 1715 B9R0.5 N#CC[C@H](O)CSCC=O 62a_100000001066_200015260668 [0,1,1,0,0,0|1,0,1]=4 1716 B9R0.5 N#CC[C@H](O)CSCC=O 62a_200015260668_100000001066 [0,1,1,0,0,0|1,0,1]=4 1717 B9R0.8 CCC(C)C(C)OCC=O 7a_100011215189_200015260668 [0,1,1,0,0,0|2,0,0]=4 1718 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [0,1,1,0,0,0|2,0,0]=4 1719 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,1,1,0,0,0|2,0,0]=4 1720 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,1,1,0,0,0|2,0,0]=4 1721 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [0,1,1,0,0,0|2,0,0]=4 1722 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [0,1,1,0,0,0|2,0,0]=4 1723 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [0,1,1,0,0,0|2,0,0]=4 1724 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,1,1,0,0,0|2,0,0]=4 1725 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,1,1,0,0,0|2,0,0]=4 1726 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,1,1,0,0,0|2,0,0]=4 1727 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,1,1,0,0,0|2,0,0]=4 1728 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [0,1,1,0,0,0|2,0,0]=4 1729 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [0,1,1,0,0,0|2,0,0]=4 1730 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,1,1,0,0,0|1,0,1]=4 1731 B9R0.40 C#CC(CCC)OCC=O 34a_200011217317_200009817547 [0,1,1,0,0,0|2,0,0]=4 1732 B9R0.40 C#CC(CCC)OCC=O 7a_200011217317_200015260668 [0,1,1,0,0,0|2,0,0]=4 1733 B9R0.40 C=CC(CCC)OCC=O 34a_100011216692_200009817547 [0,1,1,0,0,0|2,0,0]=4 1734 B9R0.40 C=CC(CCC)OCC=O 7a_100011216692_200015260668 [0,1,1,0,0,0|2,0,0]=4 1735 B9R0.40 C=CCN[C@H](CO)CCC 2230a_100000732646_100000210623 [0,1,1,0,0,0|2,0,0]=4 1736 B9R0.40 C=CCN[C@H](CO)CCC 34a_100000732646_100015514636 [0,1,1,0,0,0|2,0,0]=4 1737 B9R0.40 CCCC(C#N)OCC=O 34a_100000686963_200009817547 [0,1,1,0,0,0|2,0,0]=4 1738 B9R0.40 CCCC(C#N)OCC=O 7a_100000686963_200015260668 [0,1,1,0,0,0|2,0,0]=4 1739 B9R0.40 CCCC(CC)NCC=O 2230a_100000747048_200015260668 [0,1,1,0,0,0|2,0,0]=4 1740 B9R0.40 CCCC(CC)OCC=O 34a_100000687864_200009817547 [0,1,1,0,0,0|2,0,0]=4 1741 B9R0.40 CCCC(CC)OCC=O 7a_100000687864_200015260668 [0,1,1,0,0,0|2,0,0]=4 1742 B9R0.40 CCCC(CC)SCC=O 62a_100011219200_200015260668 [0,1,1,0,0,0|2,0,0]=4 1743 B9R0.40 CCCC(CC)SCC=O 62a_200015260668_100011219200 [0,1,1,0,0,0|2,0,0]=4 1744 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [0,1,1,0,0,0|1,0,1]=4 1745 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [0,1,1,0,0,0|1,0,1]=4 1746 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [0,1,1,0,0,0|1,0,1]=4 1747 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [0,1,1,0,0,0|1,0,1]=4 1748 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [0,1,1,0,0,0|1,0,1]=4 1749 B9R0.40 CCC[C@@H](CO)NCC=O 2230a_100000732646_200015260668 [0,1,1,0,0,0|1,0,0]=3 1750 B9R0.40 CCC[C@@H](CO)NCC=O 34a_100000732646_200009817547 [0,1,1,0,0,0|1,0,0]=3 1751 B9R0.40 COCC(CO)NCC=O 2230a_100000724102_200015260668 [0,1,1,0,0,0|2,0,0]=4 1752 B9R0.40 COCC(CO)NCC=O 34a_100000724102_200009817547 [0,1,1,0,0,0|2,0,0]=4 1753 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,1,1,0,0,0|2,0,0]=4 1754 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,1,1,0,0,0|2,0,0]=4 1755 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,1,0,0,0|0,0,2]=4 1756 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,1,0,0,0|2,0,0]=4 1757 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,1,0,0,0|2,0,0]=4 1758 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,1,0,0,0|2,0,0]=4 1759 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,1,0,0,0|2,0,0]=4 1760 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,1,0,0,0|2,0,0]=4 1761 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,1,0,0,0|2,0,0]=4 1762 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,1,0,0,0|2,0,0]=4 1763 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,1,0,0,0|2,0,0]=4 1764 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,1,0,0,0|2,0,0]=4 1765 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,1,0,0,0|2,0,0]=4 1766 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,1,0,0,0|2,0,0]=4 1767 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,1,0,0,0|2,0,0]=4 1768 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,1,1,0,0,0|2,0,0]=4 1769 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,1,1,0,0,0|2,0,0]=4 1770 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,1,1,0,0,0|2,0,0]=4 1771 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,1,0,0,0|2,0,0]=4 1772 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,1,0,0,0|2,0,0]=4 1773 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,1,0,0,0|2,0,0]=4 1774 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,1,0,0,0|2,0,0]=4 1775 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,1,0,0,0|2,0,0]=4 1776 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,1,1,0,0,0|2,0,0]=4 1777 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,1,1,0,0,0|2,0,0]=4 1778 B9R0.66 CCCC(C)(C)OCC=O 7a_100000748436_200015260668 [0,1,1,0,0,0|2,0,0]=4 1779 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,1,1,0,0,0|2,0,0]=4 1780 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,1,0,0,0|2,0,0]=4 1781 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,1,0,0,0|2,0,0]=4 1782 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,1,0,0,0|2,0,0]=4 1783 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,1,0,0,0|2,0,0]=4 1784 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,1,1,0,0,0|2,0,0]=4 1785 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,1,1,0,0,0|2,0,0]=4 1786 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,1,1,0,0,0|2,0,0]=4 1787 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,1,1,0,0,0|2,0,0]=4 1788 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,1,1,0,0,0|1,0,0]=3 1789 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,1,1,0,0,0|1,0,0]=3 1790 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,1,1,0,0,0|1,0,0]=3 1791 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,1,1,0,0,0|1,0,0]=3 1792 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [0,1,1,0,0,0|1,0,1]=4 1793 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [0,1,1,0,0,0|1,0,1]=4 1794 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,1,1,0,0,0|1,0,0]=3 1795 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,1,1,0,0,0|1,0,0]=3 1796 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [0,1,1,0,0,0|2,0,0]=4 1797 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [0,1,1,0,0,0|2,0,0]=4 1798 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,1,1,0,0,0|1,0,1]=4 1799 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,1,1,0,0,0|1,0,1]=4 1800 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,1,1,0,0,0|0,0,1]=3 1801 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,1,1,0,0,0|1,0,1]=4 1802 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,1,1,0,0,0|0,0,1]=3 1803 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [0,1,1,0,0,0|1,0,1]=4 1804 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,1,1,0,0,0|2,0,0]=4 1805 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,1,1,0,0,0|2,0,0]=4 1806 B9R0.23 CCN(C)C(C)OC(=O)C 269982a_100000225621_100009818208 [0,1,1,0,0,0|1,0,0]=3 1807 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,1,1,0,0,0|1,0,1]=4 1808 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,1,1,0,0,0|1,0,1]=4 1809 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,1,1,0,0,0|1,0,1]=4 1810 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,1,1,0,0,0|1,0,1]=4 1811 B9R0.44 CCCC(C)NS(=O)(=O)C 40a_100000741246_100000738038 [0,1,1,0,0,0|2,0,0]=4 1812 B9R0.44 CCCC(C)OC(C)(C)C 34a_100000764384_100000210625 [0,1,1,0,0,0|1,0,1]=4 1813 B9R0.44 CCCC(C)OC(C)(C)C 34a_100015890283_100000766640 [0,1,1,0,0,0|1,0,1]=4 1814 B9R0.44 CCCC(C)OC(C)(C)C 7a_100015890283_100000766640 [0,1,1,0,0,0|1,0,1]=4 1815 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,1,0,0,0|1,0,0]=3 1816 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,1,0,0,0|1,0,0]=3 1817 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,1,0,0,0|1,0,0]=3 1818 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,1,0,0,0|1,0,0]=3 1819 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,1,1,0,0,0|2,0,0]=4 1820 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,1,1,0,0,0|2,0,0]=4 1821 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,1,1,0,0,0|2,0,0]=4 1822 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,1,1,0,0,0|1,0,0]=3 1823 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,1,1,0,0,0|1,0,0]=3 1824 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,1,1,0,0,0|1,0,1]=4 1825 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,1,1,0,0,0|1,0,1]=4 1826 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,1,1,0,0,0|1,0,1]=4 1827 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [0,1,1,0,0,0|2,0,0]=4 1828 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [0,1,1,0,0,0|2,0,0]=4 1829 B9R0.58 CCCC(C)(C)OC(C)C 7a_100000748436_100000210206 [0,1,1,0,0,0|1,0,1]=4 1830 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,1,1,0,0,0|1,0,0]=3 1831 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,1,1,0,0,0|1,0,0]=3 1832 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,1,1,0,0,0|2,0,0]=4 1833 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [0,1,1,0,0,0|2,0,0]=4 1834 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [0,1,1,0,0,0|2,0,0]=4 1835 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [0,1,1,0,0,0|2,0,0]=4 1836 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [0,1,1,0,0,0|2,0,0]=4 1837 B9R0.58 CSCC(C)(C)NC(=O)C 11a_100000759623_100015343762 [0,1,1,0,0,0|2,0,0]=4 1838 B9R0.58 CSCC(C)(C)NC(=O)C 1626a_100000759623_100015343762 [0,1,1,0,0,0|2,0,0]=4 1839 B9R0.58 CSCC(C)(C)NC(=O)C 240690a_100000759623_100015343762 [0,1,1,0,0,0|2,0,0]=4 1840 B9R0.58 CSCC(C)(C)NC(=O)C 527a_100000759623_100103153847 [0,1,1,0,0,0|2,0,0]=4 1841 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,1,0,0,0|2,0,0]=4 1842 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,1,0,0,0|2,0,0]=4 1843 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,1,0,0,0|2,0,0]=4 1844 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,1,0,0,0|2,0,0]=4 1845 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,1,0,0,0|2,0,0]=4 1846 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,1,0,0,0|2,0,0]=4 1847 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,1,0,0,0|2,0,0]=4 1848 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,1,0,0,0|1,0,1]=4 1849 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,1,0,0,0|1,0,0]=3 1850 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,1,0,0,0|1,0,0]=3 1851 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,1,0,0,0|1,0,0]=3 1852 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,1,0,0,0|2,0,0]=4 1853 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,1,0,0,0|2,0,0]=4 1854 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,1,0,0,0|2,0,0]=4 1855 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,1,0,0,0|2,0,0]=4 1856 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,1,0,0,0|2,0,0]=4 1857 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,1,0,0,0|2,0,0]=4 1858 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,1,0,0,0|2,0,0]=4 1859 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,1,0,0,0|2,0,0]=4 1860 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,1,0,0,0|2,0,0]=4 1861 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,1,0,0,0|2,0,0]=4 1862 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,1,0,0,0|2,0,0]=4 1863 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,1,0,0,0|2,0,0]=4 1864 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,1,0,0,0|2,0,0]=4 1865 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,1,0,0,0|1,0,0]=3 1866 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,1,0,0,0|1,0,0]=3 1867 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,1,0,0,0|1,0,0]=3 1868 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,1,0,0,0|1,0,0]=3 1869 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,1,0,0,0|1,0,0]=3 1870 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,1,0,0,0|1,0,0]=3 1871 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,1,0,0,0|2,0,0]=4 1872 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,1,0,0,0|2,0,0]=4 1873 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,1,0,0,0|2,0,0]=4 1874 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,1,0,0,0|2,0,0]=4 1875 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,1,1,0,0,0|1,0,1]=4 1876 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,1,0,0,0|1,0,1]=4 1877 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,1,0,0,0|1,0,1]=4 1878 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,1,0,0,0|1,0,1]=4 1879 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,1,0,0,0|1,0,1]=4 1880 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,1,1,0,0,0|1,0,1]=4 1881 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,1,0,0,0|2,0,0]=4 1882 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,1,0,0,0|2,0,0]=4 1883 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,1,0,0,0|2,0,0]=4 1884 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,1,0,0,0|2,0,0]=4 1885 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,1,0,0,0|2,0,0]=4 1886 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,1,0,0,0|2,0,0]=4 1887 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,1,0,0,0|2,0,0]=4 1888 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,1,0,0,0|2,0,0]=4 1889 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,1,0,0,0|2,0,0]=4 1890 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,1,0,0,0|2,0,0]=4 1891 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,1,0,0,0|2,0,0]=4 1892 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,1,0,0,0|2,0,0]=4 1893 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,1,0,0,0|2,0,0]=4 1894 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,1,0,0,0|2,0,0]=4 1895 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,1,0,0,0|2,0,0]=4 1896 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,1,0,0,0|2,0,0]=4 1897 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,1,0,0,0|1,0,1]=4 1898 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,1,0,0,0|2,0,0]=4 1899 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,1,0,0,0|2,0,0]=4 1900 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [0,1,1,0,0,0|2,0,0]=4 1901 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [0,1,1,0,0,0|2,0,0]=4 1902 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [0,1,1,0,0,0|2,0,0]=4 1903 B9R0.20 CCCCOC(C)(C)CC 7a_100000210227_100000210677 [0,1,1,0,0,0|1,0,1]=4 1904 B9R0.20 CCCCOC(C)(C)CC 7a_100000210230_100000210211 [0,1,1,0,0,0|1,0,1]=4 1905 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,1,0,0,0|1,0,0]=3 1906 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,1,0,0,0|2,0,0]=4 1907 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,1,0,0,0|2,0,0]=4 1908 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,1,1,0,0,0|1,0,1]=4 1909 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,1,0,0,0|2,0,0]=4 1910 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,1,0,0,0|2,0,0]=4 1911 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,1,0,0,0|2,0,0]=4 1912 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,1,0,0,0|2,0,0]=4 1913 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,1,0,0,0|1,0,0]=3 1914 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,1,0,0,0|1,0,0]=3 1915 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,1,0,0,0|1,0,0]=3 1916 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,1,0,0,0|1,0,0]=3 1917 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,1,1,0,0,0|2,0,0]=4 1918 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,1,1,0,0,0|2,0,0]=4 1919 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,1,0,0,0|1,0,0]=3 1920 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,1,0,0,0|1,0,0]=3 1921 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,1,0,0,0|1,0,0]=3 1922 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,1,1,0,0,0|2,0,0]=4 1923 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,1,1,0,0,0|2,0,0]=4 1924 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,1,1,0,0,0|2,0,0]=4 1925 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,1,1,0,0,0|2,0,0]=4 1926 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,1,1,0,0,0|2,0,0]=4 1927 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,1,1,0,0,0|2,0,0]=4 1928 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,1,1,0,0,0|2,0,0]=4 1929 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,1,1,0,0,0|2,0,0]=4 1930 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,1,1,0,0,0|2,0,0]=4 1931 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,1,0,0,0|2,0,0]=4 1932 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,1,0,0,0|2,0,0]=4 1933 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,1,0,0,0|2,0,0]=4 1934 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,1,0,0,0|2,0,0]=4 1935 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,1,0,0,0|2,0,0]=4 1936 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,1,1,0,0,0|2,0,0]=4 1937 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,1,1,0,0,0|2,0,0]=4 1938 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,1,0,0,0|2,0,0]=4 1939 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,1,0,0,0|2,0,0]=4 1940 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,1,0,0,0|2,0,0]=4 1941 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,1,0,0,0|2,0,0]=4 1942 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,1,0,0,0|2,0,0]=4 1943 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,1,0,0,0|2,0,0]=4 1944 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,1,1,0,0,0|1,0,1]=4 1945 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,1,1,0,0,0|1,0,1]=4 1946 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,1,1,0,0,0|1,0,1]=4 1947 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,1,0,0,0|2,0,0]=4 1948 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,1,0,0,0|2,0,0]=4 1949 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,1,0,0,0|2,0,0]=4 1950 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,1,0,0,0|2,0,0]=4 1951 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,1,0,0,0|2,0,0]=4 1952 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,1,0,0,0|2,0,0]=4 1953 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,1,0,0,0|2,0,0]=4 1954 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,1,0,0,0|2,0,0]=4 1955 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,1,1,0,0,0|1,0,1]=4 1956 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,1,0,0,0|0,0,2]=4 1957 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,1,0,0,0|1,0,1]=4 1958 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,1,0,0,0|1,0,1]=4 1959 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,1,1,0,0,0|1,0,1]=4 1960 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,1,1,0,0,0|1,0,1]=4 1961 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,1,1,0,0,0|1,0,1]=4 1962 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,1,1,0,0,0|1,0,1]=4 1963 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,1,1,0,0,0|0,0,2]=4 1964 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,1,1,0,0,0|0,0,2]=4 1965 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,1,0,0,0|0,0,2]=4 1966 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,1,0,0,0|0,0,2]=4 1967 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,1,0,0,0|0,0,2]=4 1968 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,1,0,0,0|0,0,2]=4 1969 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,1,0,0,0|0,0,2]=4 1970 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,1,0,0,0|1,0,1]=4 1971 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,1,0,0,0|1,0,1]=4 1972 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,1,0,0,0|1,0,1]=4 1973 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,1,0,0,0|1,0,1]=4 1974 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,1,0,0,0|1,0,1]=4 1975 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,1,0,0,0|1,0,1]=4 1976 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,1,1,0,0,0|0,0,2]=4 1977 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,1,1,0,0,0|0,0,2]=4 1978 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,1,0,0,0|1,0,1]=4 1979 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,1,1,0,0,0|0,0,2]=4 1980 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,1,0,0,0|1,0,1]=4 1981 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,1,0,0,0|1,0,0]=3 1982 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,1,0,0,0|1,0,0]=3 1983 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,1,0,0,0|1,0,0]=3 1984 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,1,0,0,0|1,0,0]=3 1985 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,1,0,0,0|2,0,0]=4 1986 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,1,0,0,0|2,0,0]=4 1987 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,1,0,0,0|1,0,0]=3 1988 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,1,0,0,0|1,0,0]=3 1989 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,1,0,0,0|1,0,0]=3 1990 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,1,0,0,0|1,0,0]=3 1991 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,1,0,0,0|1,0,0]=3 1992 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,1,0,0,0|1,0,0]=3 1993 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,1,0,0,0|1,1,0]=4 1994 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,1,0,0,0|1,1,0]=4 1995 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,1,0,0,0|1,1,0]=4 1996 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,1,0,0,0|1,1,0]=4 1997 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,1,0,0,0|1,1,0]=4 1998 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,1,0,0,0|1,1,0]=4 1999 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,1,0,0,0|1,1,0]=4 2000 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,1,0,0,0|1,1,0]=4 2001 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,1,0,0,0|1,0,0]=3 2002 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,1,0,0,0|1,0,0]=3 2003 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,1,0,0,0|1,0,0]=3 2004 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,1,0,0,0|1,0,0]=3 2005 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,1,0,0,0|1,0,0]=3 2006 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,1,0,0,0|1,0,0]=3 2007 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,1,0,0,0|1,0,0]=3 2008 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,1,0,0,0|1,0,0]=3 2009 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,1,0,0,0|1,0,0]=3 2010 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,1,1,0,0,0|2,0,0]=4 2011 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,1,1,0,0,0|2,0,0]=4 2012 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,1,1,0,0,0|2,0,0]=4 2013 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,1,0,0,0|2,0,0]=4 2014 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,1,1,0,0,0|1,0,0]=3 2015 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,1,1,0,0,0|1,0,1]=4 2016 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,1,1,0,0,0|1,0,1]=4 2017 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,1,1,0,0,0|1,0,1]=4 2018 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,1,1,0,0,0|1,0,1]=4 2019 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,1,1,0,0,0|1,0,1]=4 2020 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,1,1,0,0,0|1,0,1]=4 2021 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,1,1,0,0,0|1,0,1]=4 2022 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,1,1,0,0,0|1,0,1]=4 2023 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,1,1,0,0,0|1,0,1]=4 2024 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,1,1,0,0,0|1,0,1]=4 2025 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,1,0,0,0|1,0,1]=4 2026 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,1,0,0,0|1,0,1]=4 2027 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,1,1,0,0,0|1,0,1]=4 2028 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,1,1,0,0,0|1,0,1]=4 2029 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,1,0,0,0|1,0,1]=4 2030 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,1,1,0,0,0|1,0,1]=4 2031 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,1,0,0,0|1,0,0]=3 2032 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,1,0,0,0|2,0,0]=4 2033 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,1,0,0,0|2,0,0]=4 2034 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,1,0,0,0|2,0,0]=4 2035 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,1,0,0,0|2,0,0]=4 2036 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,1,0,0,0|1,0,0]=3 2037 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,1,0,0,0|1,0,0]=3 2038 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,1,0,0,0|2,0,0]=4 2039 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,1,0,0,0|2,0,0]=4 2040 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,1,0,0,0|2,0,0]=4 2041 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,1,0,0,0|2,0,0]=4 2042 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,1,0,0,0|2,0,0]=4 2043 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,1,0,0,0|2,0,0]=4 2044 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,1,0,0,0|1,0,0]=3 2045 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,1,0,0,0|1,0,0]=3 2046 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,1,0,0,0|1,0,0]=3 2047 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,1,0,0,0|1,0,0]=3 2048 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,1,0,0,0|2,0,0]=4 2049 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,1,0,0,0|2,0,0]=4 2050 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,1,0,0,0|2,0,0]=4 2051 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,1,0,0,0|2,0,0]=4 2052 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,1,0,0,0|2,0,0]=4 2053 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,1,0,0,0|2,0,0]=4 2054 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,1,0,0,0|2,0,0]=4 2055 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,1,0,0,0|2,0,0]=4 2056 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,1,0,0,0|1,0,1]=4 2057 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,1,0,0,0|1,0,1]=4 2058 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,1,0,0,0|1,0,1]=4 2059 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,1,0,0,0|1,0,0]=3 2060 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,1,0,0,0|2,0,0]=4 2061 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,1,0,0,0|2,0,0]=4 2062 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,1,0,0,0|2,0,0]=4 2063 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,1,0,0,0|2,0,0]=4 2064 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,1,0,0,0|2,0,0]=4 2065 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,1,0,0,0|1,0,0]=3 2066 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,1,0,0,0|2,0,0]=4 2067 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,1,0,0,0|2,0,0]=4 2068 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,1,0,0,0|2,0,0]=4 2069 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,1,0,0,0|2,0,0]=4 2070 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,1,0,0,0|0,0,0]=2 2071 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,1,0,0,0|0,0,0]=2 2072 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,1,0,0,0|0,0,0]=2 2073 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,1,0,0,0|0,0,0]=2 2074 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,1,0,0,0|1,0,0]=3 2075 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,1,0,0,0|1,0,0]=3 2076 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,1,0,0,0|1,0,0]=3 2077 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,1,0,0,0|1,0,0]=3 2078 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,1,0,0,0|1,0,0]=3 2079 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,1,0,0,0|1,0,0]=3 2080 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,1,0,0,0|1,0,0]=3 2081 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,1,0,0,0|1,0,0]=3 2082 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,1,0,0,0|1,0,0]=3 2083 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,1,0,0,0|1,0,0]=3 2084 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,1,0,0,0|1,0,0]=3 2085 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,1,0,0,0|1,0,1]=4 2086 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,1,0,0,0|1,0,1]=4 2087 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,1,0,0,0|0,0,2]=4 2088 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,1,0,0,0|0,0,2]=4 2089 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,1,1,0,0,0|2,0,0]=4 2090 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,1,1,0,0,0|2,0,0]=4 2091 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,1,0,0,0|1,0,1]=4 2092 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,1,0,0,0|1,0,1]=4 2093 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,1,0,0,0|1,0,1]=4 2094 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,1,0,0,0|0,1,0]=3 2095 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,1,0,0,0|0,1,0]=3 2096 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,1,0,0,0|0,1,0]=3 2097 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,1,0,0,0|1,1,0]=4 2098 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,1,0,0,0|1,1,0]=4 2099 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,1,0,0,0|1,1,0]=4 2100 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,1,0,0,0|1,1,0]=4 2101 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,1,0,0,0|1,1,0]=4 2102 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,1,0,0,0|1,1,0]=4 2103 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,1,0,0,0|1,1,0]=4 2104 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,1,0,0,0|1,1,0]=4 2105 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,1,0,0,0|1,1,0]=4 2106 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,1,0,0,0|2,0,0]=4 2107 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,1,0,0,0|2,0,0]=4 2108 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,1,0,0,0|1,0,0]=3 2109 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,1,0,0,0|2,0,0]=4 2110 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,1,0,0,0|2,0,0]=4 2111 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,1,0,0,0|2,0,0]=4 2112 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,1,0,0,0|2,0,0]=4 2113 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,1,0,0,0|2,0,0]=4 2114 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,1,0,0,0|2,0,0]=4 2115 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,1,0,0,0|2,0,0]=4 2116 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,1,0,0,0|2,0,0]=4 2117 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,1,0,0,0|1,0,0]=3 2118 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,1,0,0,0|2,0,0]=4 2119 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,1,0,0,0|2,0,0]=4 2120 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,1,0,0,0|2,0,0]=4 2121 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,1,0,0,0|2,0,0]=4 2122 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,1,0,0,0|1,0,0]=3 2123 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,1,0,0,0|2,0,0]=4 2124 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,1,0,0,0|1,0,0]=3 2125 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,1,0,0,0|2,0,0]=4 2126 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,1,0,0,0|2,0,0]=4 2127 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,1,0,0,0|2,0,0]=4 2128 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,1,0,0,0|1,0,0]=3 2129 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,1,0,0,0|1,0,0]=3 2130 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,1,0,0,0|1,0,0]=3 2131 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,1,0,0,0|1,0,0]=3 2132 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,1,0,0,0|1,0,0]=3 2133 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,1,0,0,0|1,0,0]=3 2134 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,1,0,0,0|2,0,0]=4 2135 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,1,0,0,0|2,0,0]=4 2136 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,1,0,0,0|2,0,0]=4 2137 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,1,0,0,0|2,0,0]=4 2138 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,1,0,0,0|2,0,0]=4 2139 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,1,0,0,0|2,0,0]=4 2140 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,1,0,0,0|2,0,0]=4 2141 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,1,0,0,0|2,0,0]=4 2142 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,1,0,0,0|2,0,0]=4 2143 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,1,0,0,0|0,0,0]=2 2144 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,1,0,0,0|1,0,0]=3 2145 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,1,0,0,0|1,0,0]=3 2146 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,1,1,0,0,0|1,0,1]=4 2147 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,1,1,0,0,0|1,0,1]=4 2148 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,1,1,0,0,0|1,0,1]=4 2149 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,1,0,0,0|1,1,0]=4 2150 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,1,0,0,0|1,1,0]=4 2151 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,1,0,0,0|2,0,0]=4 2152 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,1,0,0,0|2,0,0]=4 2153 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,1,0,0,0|2,0,0]=4 2154 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,1,0,0,0|2,0,0]=4 2155 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,1,0,0,0|1,0,0]=3 2156 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,1,0,0,0|1,0,0]=3 2157 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,1,0,0,0|1,0,0]=3 2158 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,1,0,0,0|1,0,0]=3 2159 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,1,0,0,0|2,0,0]=4 2160 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,1,0,0,0|2,0,0]=4 2161 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,1,0,0,0|2,0,0]=4 2162 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,1,0,0,0|2,0,0]=4 2163 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,1,0,0,0|2,0,0]=4 2164 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,1,0,0,0|2,0,0]=4 2165 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,1,0,0,0|2,0,0]=4 2166 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,1,0,0,0|2,0,0]=4 2167 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,1,0,0,0|1,0,0]=3 2168 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,1,0,0,0|1,0,0]=3 2169 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,1,1,0,0,0|1,0,1]=4 2170 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,1,1,0,0,0|1,0,1]=4 2171 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,1,1,0,0,0|1,0,1]=4 2172 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,1,0,0,0|2,0,0]=4 2173 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,1,0,0,0|2,0,0]=4 2174 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,1,0,0,0|2,0,0]=4 2175 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,1,0,0,0|2,0,0]=4 2176 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,1,0,0,0|2,0,0]=4 2177 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,1,0,0,0|2,0,0]=4 2178 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,1,0,0,0|2,0,0]=4 2179 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,1,0,0,0|2,0,0]=4 2180 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,1,0,0,0|2,0,0]=4 2181 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,1,0,0,0|2,0,0]=4 2182 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,1,0,0,0|2,0,0]=4 2183 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,1,0,0,0|2,0,0]=4 2184 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,1,0,0,0|2,0,0]=4 2185 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,1,0,0,0|2,0,0]=4 2186 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,1,0,0,0|2,0,0]=4 2187 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,1,0,0,0|2,0,0]=4 2188 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,1,0,0,0|2,0,0]=4 2189 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,1,0,0,0|2,0,0]=4 2190 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,1,0,0,0|2,0,0]=4 2191 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,1,0,0,0|2,0,0]=4 2192 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,1,0,0,0|2,0,0]=4 2193 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,1,0,0,0|2,0,0]=4 2194 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,1,0,0,0|2,0,0]=4 2195 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,1,0,0,0|2,0,0]=4 2196 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,1,0,0,0|2,0,0]=4 2197 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,1,0,0,0|2,0,0]=4 2198 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,1,0,0,0|2,0,0]=4 2199 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,1,0,0,0|2,0,0]=4 2200 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,1,0,0,0|2,0,0]=4 2201 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,1,0,0,0|2,0,0]=4 2202 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,1,0,0,0|2,0,0]=4 2203 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,1,0,0,0|2,0,0]=4 2204 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,1,0,0,0|2,0,0]=4 2205 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,1,1,0,0,0|2,0,0]=4 2206 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,1,1,0,0,0|2,0,0]=4 2207 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,1,0,0,0|2,0,0]=4 2208 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,1,0,0,0|2,0,0]=4 2209 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,1,0,0,0|2,0,0]=4 2210 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,1,0,0,0|2,0,0]=4 2211 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,1,0,0,0|2,0,0]=4 2212 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,1,0,0,0|2,0,0]=4 2213 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,1,0,0,0|2,0,0]=4 2214 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,1,0,0,0|2,0,0]=4 2215 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,1,0,0,0|2,0,0]=4 2216 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,1,0,0,0|2,0,0]=4 2217 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,1,0,0,0|2,0,0]=4 2218 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,1,0,0,0|2,0,0]=4 2219 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,1,0,0,0|2,0,0]=4 2220 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,1,0,0,0|2,0,0]=4 2221 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,1,0,0,0|2,0,0]=4 2222 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,1,0,0,0|2,0,0]=4 2223 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,1,0,0,0|2,0,0]=4 2224 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,1,0,0,0|2,0,0]=4 2225 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,1,0,0,0|2,0,0]=4 2226 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,1,0,0,0|2,0,0]=4 2227 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,1,0,0,0|2,0,0]=4 2228 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,1,0,0,0|2,0,0]=4 2229 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,1,0,0,0|2,0,0]=4 2230 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,1,0,0,0|2,0,0]=4 2231 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,1,0,0,0|2,0,0]=4 2232 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,1,0,0,0|2,0,0]=4 2233 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,1,0,0,0|2,0,0]=4 2234 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,1,0,0,0|2,0,0]=4 2235 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,1,0,0,0|2,0,0]=4 2236 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,1,0,0,0|2,0,0]=4 2237 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,1,0,0,0|2,0,0]=4 2238 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,1,0,0,0|2,0,0]=4 2239 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,1,0,0,0|2,0,0]=4 2240 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,1,0,0,0|2,0,0]=4 2241 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,1,0,0,0|2,0,0]=4 2242 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,1,0,0,0|2,0,0]=4 2243 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,1,0,0,0|2,0,0]=4 2244 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,1,0,0,0|2,0,0]=4 2245 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,1,0,0,0|2,0,0]=4 2246 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,1,0,0,0|2,0,0]=4 2247 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,1,0,0,0|2,0,0]=4 2248 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,1,0,0,0|2,0,0]=4 2249 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,1,0,0,0|2,0,0]=4 2250 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,1,0,0,0|1,0,1]=4 2251 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,1,0,0,0|1,0,1]=4 2252 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,1,0,0,0|1,0,1]=4 2253 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,1,0,0,0|1,0,1]=4 2254 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,1,0,0,0|1,0,1]=4 2255 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,1,0,0,0|1,0,1]=4 2256 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,1,0,0,0|1,0,1]=4 2257 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,1,0,0,0|1,0,1]=4 2258 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,1,0,0,0|1,0,1]=4 2259 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,1,0,0,0|1,0,1]=4 2260 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,1,0,0,0|1,0,1]=4 2261 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,1,0,0,0|2,0,0]=4 2262 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,1,0,0,0|2,0,0]=4 2263 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,1,0,0,0|2,0,0]=4 2264 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,1,1,0,0,0|2,0,0]=4 2265 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,1,1,0,0,0|2,0,0]=4 2266 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,1,1,0,0,0|2,0,0]=4 2267 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,1,1,0,0,0|2,0,0]=4 2268 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,1,1,0,0,0|2,0,0]=4 2269 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,1,1,0,0,0|2,0,0]=4 2270 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,1,1,0,0,0|2,0,0]=4 2271 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,1,1,0,0,0|2,0,0]=4 2272 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,1,1,0,0,0|2,0,0]=4 2273 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,1,1,0,0,0|2,0,0]=4 2274 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,1,0,0,0|2,0,0]=4 2275 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,1,0,0,0|2,0,0]=4 2276 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,1,1,0,0,0|2,0,0]=4 2277 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,1,1,0,0,0|2,0,0]=4 2278 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,1,1,0,0,0|2,0,0]=4 2279 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,1,1,0,0,0|2,0,0]=4 2280 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,1,1,0,0,0|2,0,0]=4 2281 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,1,1,0,0,0|2,0,0]=4 2282 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,1,1,0,0,0|1,0,1]=4 2283 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,1,0,0,0|1,0,1]=4 2284 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,1,0,0,0|1,0,0]=3 2285 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,1,0,0,0|1,0,0]=3 2286 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,1,0,0,0|1,0,0]=3 2287 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,1,0,0,0|2,0,0]=4 2288 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,1,0,0,0|2,0,0]=4 2289 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,1,0,0,0|2,0,0]=4 2290 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,1,0,0,0|2,0,0]=4 2291 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,1,0,0,0|2,0,0]=4 2292 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,1,0,0,0|1,0,0]=3 2293 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,1,0,0,0|1,0,0]=3 2294 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,1,0,0,0|1,0,0]=3 2295 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,1,0,0,0|1,0,0]=3 2296 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,1,0,0,0|1,0,0]=3 2297 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,1,0,0,0|1,0,0]=3 2298 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,1,0,0,0|1,0,0]=3 2299 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,1,0,0,0|1,0,0]=3 2300 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,1,0,0,0|1,0,0]=3 2301 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,1,0,0,0|1,0,0]=3 2302 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,1,1,0,0,0|2,0,0]=4 2303 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,1,1,0,0,0|2,0,0]=4 2304 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,1,1,0,0,0|2,0,0]=4 2305 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,1,1,0,0,0|2,0,0]=4 2306 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,1,0,0,0|2,0,0]=4 2307 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,1,0,0,0|2,0,0]=4 2308 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,1,0,0,0|1,0,0]=3 2309 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,1,0,0,0|1,0,0]=3 2310 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,1,0,0,0|1,0,0]=3 2311 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,1,1,0,0,0|1,0,1]=4 2312 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,1,1,0,0,0|2,0,0]=4 2313 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,1,1,0,0,0|2,0,0]=4 2314 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,1,0,0,0|2,0,0]=4 2315 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,1,0,0,0|2,0,0]=4 2316 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,1,0,0,0|2,0,0]=4 2317 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,1,0,0,0|2,0,0]=4 2318 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,1,0,0,0|2,0,0]=4 2319 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,1,0,0,0|2,0,0]=4 2320 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,1,0,0,0|2,0,0]=4 2321 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,1,0,0,0|2,0,0]=4 2322 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,1,0,0,0|2,0,0]=4 2323 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,1,0,0,0|2,0,0]=4 2324 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,1,0,0,0|2,0,0]=4 2325 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,1,0,0,0|2,0,0]=4 2326 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,1,0,0,0|2,0,0]=4 2327 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,1,0,0,0|2,0,0]=4 2328 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,1,0,0,0|2,0,0]=4 2329 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,1,0,0,0|2,0,0]=4 2330 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,1,0,0,0|2,0,0]=4 2331 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,1,1,0,0,0|1,0,0]=3 2332 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,1,1,0,0,0|1,0,0]=3 2333 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,1,1,0,0,0|2,0,0]=4 2334 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,1,1,0,0,0|2,0,0]=4 2335 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,1,0,0,0|2,0,0]=4 2336 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,1,0,0,0|2,0,0]=4 2337 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,1,0,0,0|2,0,0]=4 2338 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,1,0,0,0|2,0,0]=4 2339 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,1,0,0,0|2,0,0]=4 2340 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,1,1,0,0,0|2,0,0]=4 2341 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,1,1,0,0,0|2,0,0]=4 2342 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,1,1,0,0,0|2,0,0]=4 2343 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,1,1,0,0,0|2,0,0]=4 2344 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,1,1,0,0,0|2,0,0]=4 2345 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,1,1,0,0,0|2,0,0]=4 2346 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,1,0,0,0|2,0,0]=4 2347 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,1,0,0,0|2,0,0]=4 2348 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,1,0,0,0|2,0,0]=4 2349 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,1,0,0,0|2,0,0]=4 2350 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,1,1,0,0,0|2,0,0]=4 2351 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,1,1,0,0,0|2,0,0]=4 2352 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,1,1,0,0,0|2,0,0]=4 2353 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,1,1,0,0,0|2,0,0]=4 2354 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,1,1,0,0,0|2,0,0]=4 2355 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,1,1,0,0,0|2,0,0]=4 2356 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,1,1,0,0,0|2,0,0]=4 2357 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,1,1,0,0,0|2,0,0]=4 2358 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,1,0,0,0|2,0,0]=4 2359 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,1,0,0,0|2,0,0]=4 2360 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,1,0,0,0|2,0,0]=4 2361 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,1,0,0,0|2,0,0]=4 2362 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,1,0,0,0|2,0,0]=4 2363 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,1,0,0,0|2,0,0]=4 2364 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,1,0,0,0|2,0,0]=4 2365 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,1,0,0,0|2,0,0]=4 2366 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,1,0,0,0|2,0,0]=4 2367 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,1,0,0,0|2,0,0]=4 2368 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,1,0,0,0|2,0,0]=4 2369 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,1,0,0,0|2,0,0]=4 2370 B9R0.50 C#CC(CC)OCCCC 34a_100000758843_100000210210 [0,1,1,0,0,0|1,0,1]=4 2371 B9R0.50 C#CC(CC)OCCCC 7a_100000758843_100000210211 [0,1,1,0,0,0|1,0,1]=4 2372 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,1,1,0,0,0|1,0,1]=4 2373 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,1,1,0,0,0|1,0,1]=4 2374 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [0,1,1,0,0,0|1,0,1]=4 2375 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [0,1,1,0,0,0|1,0,1]=4 2376 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,1,0,0,0|1,0,1]=4 2377 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,1,0,0,0|1,0,1]=4 2378 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,1,0,0,0|1,0,1]=4 2379 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,1,1,0,0,0|0,0,2]=4 2380 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,1,0,0,0|2,0,0]=4 2381 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,1,0,0,0|2,0,0]=4 2382 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,1,0,0,0|2,0,0]=4 2383 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,1,0,0,0|2,0,0]=4 2384 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,1,0,0,0|2,0,0]=4 2385 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,1,0,0,0|2,0,0]=4 2386 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,1,0,0,0|2,0,0]=4 2387 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,1,0,0,0|2,0,0]=4 2388 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,1,0,0,0|2,0,0]=4 2389 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,1,0,0,0|2,0,0]=4 2390 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,1,0,0,0|2,0,0]=4 2391 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,1,0,0,0|2,0,0]=4 2392 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,1,0,0,0|2,0,0]=4 2393 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,1,0,0,0|2,0,0]=4 2394 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,1,0,0,0|2,0,0]=4 2395 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,1,0,0,0|2,0,0]=4 2396 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,1,0,0,0|2,0,0]=4 2397 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,1,0,0,0|2,0,0]=4 2398 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,1,0,0,0|2,0,0]=4 2399 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,1,0,0,0|2,0,0]=4 2400 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,1,0,0,0|1,0,1]=4 2401 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,1,0,0,0|1,0,1]=4 2402 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,1,0,0,0|1,0,1]=4 2403 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,1,0,0,0|0,0,2]=4 2404 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,1,0,0,0|1,0,1]=4 2405 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,1,0,0,0|1,0,0]=3 2406 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,1,0,0,0|1,0,0]=3 2407 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,1,0,0,0|1,0,0]=3 2408 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,1,0,0,0|2,0,0]=4 2409 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,1,0,0,0|2,0,0]=4 2410 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,1,0,0,0|2,0,0]=4 2411 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,1,0,0,0|2,0,0]=4 2412 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,1,0,0,0|2,0,0]=4 2413 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,1,0,0,0|2,0,0]=4 2414 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,1,0,0,0|2,0,0]=4 2415 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,1,0,0,0|2,0,0]=4 2416 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,1,0,0,0|2,0,0]=4 2417 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,1,0,0,0|2,0,0]=4 2418 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,1,0,0,0|2,0,0]=4 2419 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,1,0,0,0|2,0,0]=4 2420 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,1,0,0,0|2,0,0]=4 2421 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,1,0,0,0|2,0,0]=4 2422 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,1,0,0,0|2,0,0]=4 2423 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,1,0,0,0|2,0,0]=4 2424 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,1,0,0,0|2,0,0]=4 2425 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,1,0,0,0|2,0,0]=4 2426 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,1,0,0,0|2,0,0]=4 2427 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,1,0,0,0|2,0,0]=4 2428 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,1,0,0,0|2,0,0]=4 2429 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,1,0,0,0|2,0,0]=4 2430 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,1,0,0,0|2,0,0]=4 2431 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,1,0,0,0|2,0,0]=4 2432 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,1,0,0,0|2,0,0]=4 2433 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,1,0,0,0|2,0,0]=4 2434 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,1,0,0,0|2,0,0]=4 2435 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,1,0,0,0|2,0,0]=4 2436 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,1,0,0,0|2,0,0]=4 2437 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,1,0,0,0|2,0,0]=4 2438 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,1,0,0,0|2,0,0]=4 2439 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,1,0,0,0|2,0,0]=4 2440 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,1,0,0,0|2,0,0]=4 2441 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,1,1,0,0,0|0,0,2]=4 2442 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,1,1,0,0,0|0,0,2]=4 2443 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,1,0,0,0|1,0,1]=4 2444 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,1,0,0,0|1,0,1]=4 2445 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,1,0,0,0|1,0,1]=4 2446 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,1,0,0,0|1,0,1]=4 2447 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,1,0,0,0|1,0,1]=4 2448 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,1,0,0,0|1,0,1]=4 2449 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,1,0,0,0|1,0,0]=3 2450 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,1,0,0,0|1,0,0]=3 2451 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,1,0,0,0|1,0,0]=3 2452 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 2453 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 2454 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 2455 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,1,0,0,0|1,0,0]=3 2456 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,1,0,0,0|1,0,0]=3 2457 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,1,0,0,0|1,0,0]=3 2458 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,1,0,0,0|0,0,0]=2 2459 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,1,0,0,0|1,0,1]=4 2460 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,1,0,0,0|1,0,1]=4 2461 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,1,0,0,0|1,0,1]=4 2462 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,1,0,0,0|1,0,1]=4 2463 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,1,0,0,0|2,0,0]=4 2464 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,1,0,0,0|1,0,0]=3 2465 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,1,0,0,0|1,0,0]=3 2466 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,1,0,0,0|1,0,0]=3 2467 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,1,0,0,0|0,0,1]=3 2468 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,1,0,0,0|1,0,1]=4 2469 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,1,0,0,0|1,0,1]=4 2470 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,1,0,0,0|1,0,1]=4 2471 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,1,0,0,0|1,0,1]=4 2472 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,1,0,0,0|1,0,1]=4 2473 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,1,0,0,0|1,0,0]=3 2474 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,1,0,0,0|1,0,0]=3 2475 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,1,0,0,0|0,0,1]=3 2476 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,1,0,0,0|0,0,1]=3 2477 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,1,0,0,0|1,0,1]=4 2478 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,1,0,0,0|1,0,1]=4 2479 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,1,0,0,0|1,0,1]=4 2480 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,1,0,0,0|1,0,1]=4 2481 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,1,0,0,0|1,0,1]=4 2482 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,1,0,0,0|1,0,0]=3 2483 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,1,0,0,0|1,0,0]=3 2484 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,1,0,0,0|1,0,0]=3 2485 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,1,0,0,0|1,0,1]=4 2486 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,1,0,0,0|1,0,1]=4 2487 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,1,0,0,0|1,0,1]=4 2488 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,1,0,0,0|1,0,0]=3 2489 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,1,0,0,0|1,0,0]=3 2490 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,1,0,0,0|1,0,0]=3 2491 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,1,0,0,0|1,0,0]=3 2492 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,1,0,0,0|1,0,0]=3 2493 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,1,0,0,0|1,0,0]=3 2494 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,1,0,0,0|1,0,0]=3 2495 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,1,0,0,0|1,0,0]=3 2496 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,1,0,0,0|1,0,0]=3 2497 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,1,0,0,0|1,0,1]=4 2498 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,1,0,0,0|1,0,1]=4 2499 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,1,0,0,0|2,0,0]=4 2500 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,1,0,0,0|1,0,0]=3 2501 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,1,0,0,0|1,0,0]=3 2502 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,1,0,0,0|1,0,0]=3 2503 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,1,0,0,0|1,0,0]=3 2504 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,1,0,0,0|1,0,1]=4 2505 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,1,0,0,0|1,0,1]=4 2506 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,1,0,0,0|2,0,0]=4 2507 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,1,0,0,0|2,0,0]=4 2508 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,1,0,0,0|1,0,0]=3 2509 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,1,0,0,0|2,0,0]=4 2510 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,1,0,0,0|2,0,0]=4 2511 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,1,0,0,0|2,0,0]=4 2512 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,1,0,0,0|1,0,0]=3 2513 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,1,0,0,0|1,0,0]=3 2514 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,1,0,0,0|1,0,0]=3 2515 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,1,0,0,0|1,0,0]=3 2516 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,1,0,0,0|1,0,1]=4 2517 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,1,0,0,0|1,0,1]=4 2518 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,1,0,0,0|2,0,0]=4 2519 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,1,0,0,0|2,0,0]=4 2520 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,1,0,0,0|2,0,0]=4 2521 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,1,0,0,0|2,0,0]=4 2522 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,1,0,0,0|2,0,0]=4 2523 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,1,0,0,0|2,0,0]=4 2524 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,1,0,0,0|2,0,0]=4 2525 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,1,0,0,0|2,0,0]=4 2526 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,1,0,0,0|1,0,0]=3 2527 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,1,0,0,0|1,0,0]=3 2528 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,1,0,0,0|1,0,0]=3 2529 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,1,0,0,0|1,0,0]=3 2530 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,1,0,0,0|1,0,1]=4 2531 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,1,0,0,0|1,0,1]=4 2532 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,1,0,0,0|2,0,0]=4 2533 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,1,0,0,0|2,0,0]=4 2534 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,1,0,0,0|2,0,0]=4 2535 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,1,0,0,0|2,0,0]=4 2536 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,1,0,0,0|2,0,0]=4 2537 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,1,0,0,0|2,0,0]=4 2538 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,1,0,0,0|2,0,0]=4 2539 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,1,0,0,0|2,0,0]=4 2540 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,1,0,0,0|2,0,0]=4 2541 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,1,0,0,0|2,0,0]=4 2542 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,1,0,0,0|2,0,0]=4 2543 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,1,0,0,0|1,0,1]=4 2544 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,1,0,0,0|1,0,0]=3 2545 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,1,0,0,0|2,0,0]=4 2546 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,1,0,0,0|2,0,0]=4 2547 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,1,0,0,0|2,0,0]=4 2548 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,1,0,0,0|1,0,0]=3 2549 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,1,1,0,0,0|1,0,1]=4 2550 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,1,0,0,0|1,0,0]=3 2551 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,1,0,0,0|1,0,0]=3 2552 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,1,0,0,0|1,0,0]=3 2553 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,1,0,0,0|1,0,1]=4 2554 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,1,0,0,0|1,0,1]=4 2555 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 2556 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 2557 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 2558 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,1,0,0,0|2,0,0]=4 2559 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,1,0,0,0|2,0,0]=4 2560 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,1,0,0,0|2,0,0]=4 2561 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,1,0,0,0|2,0,0]=4 2562 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,1,1,0,0,0|2,0,0]=4 2563 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,1,1,0,0,0|2,0,0]=4 2564 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,1,1,0,0,0|2,0,0]=4 2565 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,1,0,0,0|1,0,0]=3 2566 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,1,1,0,0,0|1,0,1]=4 2567 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,1,0,0,0|2,0,0]=4 2568 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,1,0,0,0|2,0,0]=4 2569 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,1,0,0,0|2,0,0]=4 2570 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,1,0,0,0|2,0,0]=4 2571 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,1,0,0,0|1,0,1]=4 2572 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,1,1,0,0,0|2,0,0]=4 2573 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,1,1,0,0,0|2,0,0]=4 2574 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,1,1,0,0,0|1,0,1]=4 2575 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,1,1,0,0,0|1,0,1]=4 2576 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,1,1,0,0,0|2,0,0]=4 2577 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,1,0,0,0|2,0,0]=4 2578 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,1,0,0,0|2,0,0]=4 2579 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,1,1,0,0,0|2,0,0]=4 2580 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,1,1,0,0,0|2,0,0]=4 2581 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,1,1,0,0,0|1,0,1]=4 2582 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,1,1,0,0,0|1,0,1]=4 2583 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,1,0,0,0|1,0,0]=3 2584 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,1,0,0,0|1,0,0]=3 2585 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,1,0,0,0|2,0,0]=4 2586 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,1,0,0,0|2,0,0]=4 2587 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,1,0,0,0|2,0,0]=4 2588 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,1,0,0,0|2,0,0]=4 2589 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,1,0,0,0|2,0,0]=4 2590 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,1,0,0,0|2,0,0]=4 2591 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,1,0,0,0|1,0,0]=3 2592 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,1,0,0,0|2,0,0]=4 2593 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,1,0,0,0|2,0,0]=4 2594 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,1,0,0,0|2,0,0]=4 2595 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,1,0,0,0|2,0,0]=4 2596 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,1,0,0,0|2,0,0]=4 2597 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,1,0,0,0|1,0,1]=4 2598 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,1,0,0,0|2,0,0]=4 2599 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,1,0,0,0|2,0,0]=4 2600 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,1,0,0,0|1,0,1]=4 2601 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,1,0,0,0|1,0,1]=4 2602 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,1,0,0,0|1,0,1]=4 2603 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,1,0,0,0|1,0,1]=4 2604 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,1,0,0,0|1,0,1]=4 2605 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,1,0,0,0|1,0,0]=3 2606 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,1,0,0,0|1,0,0]=3 2607 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,1,0,0,0|1,0,0]=3 2608 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,1,0,0,0|2,0,0]=4 2609 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,1,0,0,0|2,0,0]=4 2610 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,1,0,0,0|2,0,0]=4 2611 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,1,0,0,0|2,0,0]=4 2612 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,1,0,0,0|2,0,0]=4 2613 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,1,0,0,0|2,0,0]=4 2614 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,1,0,0,0|2,0,0]=4 2615 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,1,0,0,0|2,0,0]=4 2616 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,1,0,0,0|1,0,1]=4 2617 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,1,0,0,0|1,0,1]=4 2618 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,1,0,0,0|1,0,0]=3 2619 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,1,0,0,0|1,0,0]=3 2620 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,1,0,0,0|1,0,0]=3 2621 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,1,0,0,0|1,0,0]=3 2622 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,1,0,0,0|1,0,0]=3 2623 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,1,0,0,0|0,0,1]=3 2624 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,1,0,0,0|2,0,0]=4 2625 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,1,0,0,0|2,0,0]=4 2626 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,1,0,0,0|2,0,0]=4 2627 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,1,0,0,0|2,0,0]=4 2628 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,1,0,0,0|2,0,0]=4 2629 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,1,0,0,0|2,0,0]=4 2630 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,1,0,0,0|1,0,0]=3 2631 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,1,0,0,0|1,0,1]=4 2632 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,1,0,0,0|2,0,0]=4 2633 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,1,0,0,0|2,0,0]=4 2634 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,1,0,0,0|1,0,1]=4 2635 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,1,0,0,0|2,0,0]=4 2636 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,1,0,0,0|2,0,0]=4 2637 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,1,0,0,0|1,0,1]=4 2638 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,1,0,0,0|1,0,1]=4 2639 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,1,0,0,0|2,0,0]=4 2640 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,1,1,0,0,0|2,0,0]=4 2641 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,1,0,0,0|2,0,0]=4 2642 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,1,0,0,0|2,0,0]=4 2643 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,1,0,0,0|2,0,0]=4 2644 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,1,0,0,0|2,0,0]=4 2645 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,1,0,0,0|2,0,0]=4 2646 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,1,0,0,0|2,0,0]=4 2647 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,1,0,0,0|2,0,0]=4 2648 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,1,0,0,0|2,0,0]=4 2649 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,1,0,0,0|2,0,0]=4 2650 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,1,0,0,0|2,0,0]=4 2651 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,1,0,0,0|2,0,0]=4 2652 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,1,0,0,0|2,0,0]=4 2653 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,1,0,0,0|2,0,0]=4 2654 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,1,0,0,0|2,0,0]=4 2655 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,1,0,0,0|2,0,0]=4 2656 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,1,0,0,0|2,0,0]=4 2657 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,1,0,0,0|1,0,1]=4 2658 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,1,0,0,0|1,0,1]=4 2659 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,1,0,0,0|1,0,0]=3 2660 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,1,0,0,0|1,0,0]=3 2661 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,1,0,0,0|2,0,0]=4 2662 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,1,0,0,0|2,0,0]=4 2663 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,1,0,0,0|2,0,0]=4 2664 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,1,0,0,0|2,0,0]=4 2665 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,1,0,0,0|2,0,0]=4 2666 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,1,0,0,0|2,0,0]=4 2667 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,1,0,0,0|2,0,0]=4 2668 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,1,0,0,0|1,0,1]=4 2669 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,1,0,0,0|2,0,0]=4 2670 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,1,1,0,0,0|2,0,0]=4 2671 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,1,0,0,0|2,0,0]=4 2672 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,1,0,0,0|2,0,0]=4 2673 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,1,0,0,0|2,0,0]=4 2674 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,1,0,0,0|2,0,0]=4 2675 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,1,0,0,0|2,0,0]=4 2676 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,1,0,0,0|2,0,0]=4 2677 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,1,0,0,0|2,0,0]=4 2678 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,1,0,0,0|2,0,0]=4 2679 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,1,0,0,0|2,0,0]=4 2680 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,1,0,0,0|2,0,0]=4 2681 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,1,0,0,0|2,0,0]=4 2682 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,1,0,0,0|2,0,0]=4 2683 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,1,0,0,0|2,0,0]=4 2684 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,1,0,0,0|2,0,0]=4 2685 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,1,0,0,0|2,0,0]=4 2686 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,1,0,0,0|2,0,0]=4 2687 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,1,0,0,0|2,0,0]=4 2688 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,1,1,0,0,0|1,0,1]=4 2689 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,1,0,0,0|2,0,0]=4 2690 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,1,0,0,0|2,0,0]=4 2691 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,1,0,0,0|2,0,0]=4 2692 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,1,1,0,0,0|2,0,0]=4 2693 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,1,1,0,0,0|2,0,0]=4 2694 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,1,0,0,0|2,0,0]=4 2695 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,1,0,0,0|2,0,0]=4 2696 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,1,1,0,0,0|2,0,0]=4 2697 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,1,1,0,0,0|2,0,0]=4 2698 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,1,1,0,0,0|2,0,0]=4 2699 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,1,1,0,0,0|2,0,0]=4 2700 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,1,1,0,0,0|2,0,0]=4 2701 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,1,1,0,0,0|2,0,0]=4 2702 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,1,1,0,0,0|2,0,0]=4 2703 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,1,1,0,0,0|2,0,0]=4 2704 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,1,1,0,0,0|2,0,0]=4 2705 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,1,1,0,0,0|2,0,0]=4 2706 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,1,1,0,0,0|2,0,0]=4 2707 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,1,1,0,0,0|2,0,0]=4 2708 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,1,0,0,0|2,0,0]=4 2709 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,1,0,0,0|2,0,0]=4 2710 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,1,1,0,0,0|2,0,0]=4 2711 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,1,1,0,0,0|2,0,0]=4 2712 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,1,0,0,0|2,0,0]=4 2713 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,1,0,0,0|2,0,0]=4 2714 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,1,1,0,0,0|2,0,0]=4 2715 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,1,0,0,0|2,0,0]=4 2716 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,1,0,0,0|2,0,0]=4 2717 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,1,0,0,0|2,0,0]=4 2718 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,1,0,0,0|2,0,0]=4 2719 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,1,0,0,0|2,0,0]=4 2720 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,1,0,0,0|2,0,0]=4 2721 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,1,0,0,0|2,0,0]=4 2722 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,1,0,0,0|2,0,0]=4 2723 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,1,0,0,0|2,0,0]=4 2724 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,1,1,0,0,0|2,0,0]=4 2725 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,1,1,0,0,0|2,0,0]=4 2726 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,1,0,0,0|2,0,0]=4 2727 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,1,0,0,0|2,0,0]=4 2728 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,1,0,0,0|2,0,0]=4 2729 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,1,0,0,0|1,0,1]=4 2730 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,1,1,0,0,0|2,0,0]=4 2731 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,1,1,0,0,0|2,0,0]=4 2732 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,1,0,0,0|1,0,0]=3 2733 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,1,0,0,0|1,0,0]=3 2734 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,1,1,0,0,0|2,0,0]=4 2735 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,1,1,0,0,0|2,0,0]=4 2736 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,1,1,0,0,0|2,0,0]=4 2737 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,1,0,0,0|1,0,1]=4 2738 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,1,0,0,0|1,0,1]=4 2739 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,1,0,0,0|1,0,1]=4 2740 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,1,0,0,0|1,0,1]=4 2741 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,1,0,0,0|1,0,1]=4 2742 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,1,1,0,0,0|1,0,1]=4 2743 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,1,1,0,0,0|1,0,1]=4 2744 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,1,0,0,0|1,0,1]=4 2745 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,1,0,0,0|1,0,1]=4 2746 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,1,0,0,0|1,0,1]=4 2747 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,1,0,0,0|1,0,0]=3 2748 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,1,0,0,0|1,0,0]=3 2749 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,1,0,0,0|1,0,0]=3 2750 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,1,0,0,0|0,0,1]=3 2751 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,1,0,0,0|1,0,1]=4 2752 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,1,0,0,0|1,0,1]=4 2753 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,1,0,0,0|1,0,0]=3 2754 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,1,0,0,0|1,0,0]=3 2755 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,1,1,0,0,0|1,0,1]=4 2756 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,1,0,0,0|1,0,1]=4 2757 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,1,0,0,0|1,0,0]=3 2758 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,1,0,0,0|1,0,0]=3 2759 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,1,0,0,0|2,0,0]=4 2760 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,1,1,0,0,0|2,0,0]=4 2761 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,1,0,0,0|2,0,0]=4 2762 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,1,0,0,0|2,0,0]=4 2763 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,1,0,0,0|2,0,0]=4 2764 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,1,1,0,0,0|2,0,0]=4 2765 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,1,1,0,0,0|2,0,0]=4 2766 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,1,1,0,0,0|1,0,1]=4 2767 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,1,0,0,0|2,0,0]=4 2768 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,1,0,0,0|2,0,0]=4 2769 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,1,0,0,0|2,0,0]=4 2770 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,1,0,0,0|2,0,0]=4 2771 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,1,0,0,0|2,0,0]=4 2772 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,1,0,0,0|2,0,0]=4 2773 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,1,0,0,0|2,0,0]=4 2774 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,1,0,0,0|2,0,0]=4 2775 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,1,0,0,0|2,0,0]=4 2776 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,1,0,0,0|2,0,0]=4 2777 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,1,0,0,0|2,0,0]=4 2778 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,1,0,0,0|2,0,0]=4 2779 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,1,1,0,0,0|2,0,0]=4 2780 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,1,1,0,0,0|2,0,0]=4 2781 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,1,0,0,0|2,0,0]=4 2782 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,1,0,0,0|2,0,0]=4 2783 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,1,0,0,0|2,0,0]=4 2784 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,1,0,0,0|2,0,0]=4 2785 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,1,1,0,0,0|2,0,0]=4 2786 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,1,1,0,0,0|1,0,1]=4 2787 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,1,1,0,0,0|2,0,0]=4 2788 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,1,0,0,0|1,0,0]=3 2789 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,1,1,0,0,0|2,0,0]=4 2790 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,1,1,0,0,0|1,0,0]=3 2791 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,1,1,0,0,0|2,0,0]=4 2792 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,1,1,0,0,0|2,0,0]=4 2793 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,1,1,0,0,0|1,0,1]=4 2794 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,1,1,0,0,0|2,0,0]=4 2795 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,1,1,0,0,0|2,0,0]=4 2796 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,1,1,0,0,0|1,0,1]=4 2797 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,1,1,0,0,0|1,0,1]=4 2798 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,1,1,0,0,0|2,0,0]=4 2799 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,1,1,0,0,0|2,0,0]=4 2800 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,1,1,0,0,0|2,0,0]=4 2801 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,1,1,0,0,0|2,0,0]=4 2802 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,1,1,0,0,0|2,0,0]=4 2803 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,1,1,0,0,0|2,0,0]=4 2804 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,1,1,0,0,0|2,0,0]=4 2805 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,1,1,0,0,0|2,0,0]=4 2806 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,1,1,0,0,0|2,0,0]=4 2807 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,1,1,0,0,0|2,0,0]=4 2808 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,1,1,0,0,0|2,0,0]=4 2809 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,1,1,0,0,0|2,0,0]=4 2810 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,1,1,0,0,0|2,0,0]=4 2811 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,1,1,0,0,0|2,0,0]=4 2812 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,1,1,0,0,0|2,0,0]=4 2813 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,1,1,0,0,0|2,0,0]=4 2814 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,1,1,0,0,0|2,0,0]=4 2815 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,1,1,0,0,0|1,0,0]=3 2816 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,1,1,0,0,0|2,0,0]=4 2817 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,1,1,0,0,0|2,0,0]=4 2818 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,1,1,0,0,0|1,0,1]=4 2819 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,1,1,0,0,0|1,0,1]=4 2820 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,1,1,0,0,0|2,0,0]=4 2821 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,1,1,0,0,0|2,0,0]=4 2822 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,1,1,0,0,0|2,0,0]=4 2823 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,1,1,0,0,0|2,0,0]=4 2824 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,1,1,0,0,0|2,0,0]=4 2825 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,1,1,0,0,0|2,0,0]=4 2826 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,1,1,0,0,0|2,0,0]=4 2827 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,1,1,0,0,0|2,0,0]=4 2828 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,1,1,0,0,0|2,0,0]=4 2829 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,1,1,0,0,0|2,0,0]=4 2830 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,1,1,0,0,0|1,0,1]=4 2831 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,1,1,0,0,0|2,0,0]=4 2832 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,1,1,0,0,0|2,0,0]=4 2833 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,1,1,0,0,0|2,0,0]=4 2834 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,1,1,0,0,0|2,0,0]=4 2835 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,1,1,0,0,0|2,0,0]=4 2836 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,1,1,0,0,0|2,0,0]=4 2837 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,1,1,0,0,0|2,0,0]=4 2838 B9R0.12 CCC(C)N(CC)CC=O 2230a_100000732650_200015260668 [0,1,1,0,0,0|2,0,0]=4 2839 B9R0.12 CCC(C)N(CC)CC=O 269982a_100000732650_200015260668 [0,1,1,0,0,0|2,0,0]=4 2840 B9R0.15 CCCC(OCC)C(C)C 34a_200011215069_100000210202 [0,1,1,0,0,0|1,0,1]=4 2841 B9R0.15 CCCC(OCC)C(C)C 7a_200011215069_100000210202 [0,1,1,0,0,0|1,0,1]=4 2842 B9R0.15 CCCC(OCF)C(C)C 34a_200011215069_100015361967 [0,1,1,0,0,0|1,0,1]=4 2843 B9R0.15 CCCC(OCF)C(C)C 7a_200011215069_100015361967 [0,1,1,0,0,0|1,0,1]=4 2844 B9R0.15 CCCN(CC=O)C(C)C 2230a_106256033942_200015260668 [0,1,1,0,0,0|2,0,0]=4 2845 B9R0.15 CCCN(CC=O)C(C)C 269982a_106256033942_200015260668 [0,1,1,0,0,0|2,0,0]=4 2846 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [0,1,1,0,0,0|2,0,0]=4 2847 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [0,1,1,0,0,0|2,0,0]=4 2848 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [0,1,1,0,0,0|2,0,0]=4 2849 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [0,1,1,0,0,0|2,0,0]=4 2850 B9R0.17 CCCC(CCC)OCC 34a_100121572206_200011218217 [0,1,1,0,0,0|1,0,1]=4 2851 B9R0.17 CCCC(CCC)OCC 34a_200011218534_100000210202 [0,1,1,0,0,0|1,0,1]=4 2852 B9R0.17 CCCC(CCC)OCC 7a_200011218534_100000210202 [0,1,1,0,0,0|1,0,1]=4 2853 B9R0.17 CCCC(CCC)OCF 34a_200011218534_100015361967 [0,1,1,0,0,0|1,0,1]=4 2854 B9R0.17 CCCC(CCC)OCF 7a_200011218534_100015361967 [0,1,1,0,0,0|1,0,1]=4 2855 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [0,1,1,0,0,0|2,0,0]=4 2856 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [0,1,1,0,0,0|2,0,0]=4 2857 B9R0.17 CCCN(CC=O)CCO 2230a_100000211420_200015260668 [0,1,1,0,0,0|2,0,0]=4 2858 B9R0.17 CCCN(CC=O)CCO 269982a_100000211420_200015260668 [0,1,1,0,0,0|2,0,0]=4 2859 B9R0.59 CCCC(C)(CC)OCC 7a_200011215934_100000210202 [0,1,1,0,0,0|1,0,1]=4 2860 B9R0.59 CCCC(C)(CC)OCF 7a_200011215934_100015361967 [0,1,1,0,0,0|1,0,1]=4 2861 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,1,0,0,0,0|1,0,1]=4 2862 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,1,0,0,0,0|0,0,1]=3 2863 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,1,0,0,0,0|1,0,1]=4 2864 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,1,0,0,0,0|0,0,1]=3 2865 B9R1.11 CC(N[13CH3])C1CCCO1 2230a_100025754208_200025704644 [1,1,0,0,0,0|1,0,1]=4 2866 B9R1.11 CC(N[13CH3])C1CCCO1 34a_100025754208_200025704644 [1,1,0,0,0,0|1,0,1]=4 2867 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,1,0,0,0,0|0,0,2]=4 2868 B9R1.11 CNC(C)C1CCCO1 2230a_100025754208_200000210301 [1,1,0,0,0,0|1,0,1]=4 2869 B9R1.11 CNC(C)C1CCCO1 34a_100025754208_200000210301 [1,1,0,0,0,0|1,0,1]=4 2870 B9R1.12 CCCNC1CC=CC1 2230a_100015188752_100000210303 [1,1,0,0,0,0|1,0,1]=4 2871 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,1,0,0,0,0|1,0,1]=4 2872 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,1,0,0,0,0|1,0,1]=4 2873 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,1,0,0,0,0|1,0,1]=4 2874 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [1,1,0,0,0,0|2,0,0]=4 2875 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [1,1,0,0,0,0|2,0,0]=4 2876 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [1,1,0,0,0,0|2,0,0]=4 2877 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [1,1,0,0,0,0|2,0,0]=4 2878 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [1,1,0,0,0,0|2,0,0]=4 2879 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,1,0,0,0,0|1,0,1]=4 2880 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,1,0,0,0,0|1,0,1]=4 2881 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,1,0,0,0,0|1,0,1]=4 2882 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,1,0,0,0,0|0,0,1]=3 2883 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [1,1,0,0,0,0|2,0,0]=4 2884 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [1,1,0,0,0,0|2,0,0]=4 2885 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [1,1,0,0,0,0|2,0,0]=4 2886 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,1,0,0,0,0|1,0,1]=4 2887 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,1,0,0,0,0|1,0,1]=4 2888 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [1,1,0,0,0,0|2,0,0]=4 2889 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,1,0,0,0,0|1,0,1]=4 2890 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,1,0,0,0,0|1,0,1]=4 2891 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,1,0,0,0,0|1,0,1]=4 2892 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,1,0,0,0,0|1,0,1]=4 2893 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,1,0,0,0,0|0,0,1]=3 2894 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [1,1,0,0,0,0|2,0,0]=4 2895 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [1,1,0,0,0,0|2,0,0]=4 2896 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [1,1,0,0,0,0|2,0,0]=4 2897 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,1,0,0,0,0|1,0,1]=4 2898 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,1,0,0,0,0|1,0,1]=4 2899 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,1,0,0,0,0|1,0,1]=4 2900 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,1,0,0,0,0|0,0,1]=3 2901 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,1,0,0,0,0|0,0,1]=3 2902 B9R1.12 CCOCC1CC=CC1 34a_100000688395_100000210202 [1,1,0,0,0,0|1,0,1]=4 2903 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,1,0,0,0,0|1,0,1]=4 2904 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,1,0,0,0,0|1,0,1]=4 2905 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,1,0,0,0,0|1,0,1]=4 2906 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,1,0,0,0,0|0,0,1]=3 2907 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,1,0,0,0,0|0,0,1]=3 2908 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,1,0,0,0,0|2,0,0]=4 2909 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,1,0,0,0,0|2,0,0]=4 2910 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,1,0,0,0,0|2,0,0]=4 2911 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,1,0,0,0,0|1,0,1]=4 2912 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,1,0,0,0,0|1,0,1]=4 2913 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,1,0,0,0,0|1,0,1]=4 2914 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,1,0,0,0,0|1,0,1]=4 2915 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,1,0,0,0,0|1,0,1]=4 2916 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,1,0,0,0,0|1,0,1]=4 2917 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,1,0,0,0,0|0,0,1]=3 2918 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,1,0,0,0,0|0,0,1]=3 2919 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [1,1,0,0,0,0|2,0,0]=4 2920 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [1,1,0,0,0,0|2,0,0]=4 2921 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,1,0,0,0,0|1,0,1]=4 2922 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,1,0,0,0,0|1,0,1]=4 2923 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,1,0,0,0,0|1,0,1]=4 2924 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,1,0,0,0,0|1,0,1]=4 2925 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,1,0,0,0,0|1,0,1]=4 2926 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,1,0,0,0,0|1,0,1]=4 2927 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,1,0,0,0,0|1,0,1]=4 2928 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,1,0,0,0,0|1,0,1]=4 2929 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,1,0,0,0,0|1,0,1]=4 2930 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,1,0,0,0,0|1,0,1]=4 2931 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,1,0,0,0,0|1,0,1]=4 2932 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,1,0,0,0,0|1,0,1]=4 2933 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,1,0,0,0,0|1,0,1]=4 2934 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,1,0,0,0,0|1,0,1]=4 2935 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,1,0,0,0,0|1,0,1]=4 2936 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [1,1,0,0,0,0|2,0,0]=4 2937 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [1,1,0,0,0,0|2,0,0]=4 2938 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,1,0,0,0,0|1,0,1]=4 2939 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,1,0,0,0,0|1,0,1]=4 2940 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,1,0,0,0,0|1,0,1]=4 2941 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,1,0,0,0,0|1,0,1]=4 2942 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,1,0,0,0,0|1,0,1]=4 2943 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [1,1,0,0,0,0|1,0,1]=4 2944 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [1,1,0,0,0,0|1,0,1]=4 2945 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,1,0,0,0,0|1,0,1]=4 2946 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,1,0,0,0,0|1,0,1]=4 2947 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [1,1,0,0,0,0|1,0,1]=4 2948 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [1,1,0,0,0,0|1,0,1]=4 2949 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,1,0,0,0,0|1,0,1]=4 2950 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,1,0,0,0,0|1,0,1]=4 2951 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,1,0,0,0,0|1,0,1]=4 2952 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,1,0,0,0,0|1,0,1]=4 2953 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,1,0,0,0,0|1,0,1]=4 2954 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,1,0,0,0,0|1,0,1]=4 2955 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,1,0,0,0,0|1,0,1]=4 2956 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [1,1,0,0,0,0|2,0,0]=4 2957 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [1,1,0,0,0,0|2,0,0]=4 2958 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,1,0,0,0,0|1,0,1]=4 2959 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,1,0,0,0,0|1,0,1]=4 2960 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,1,0,0,0,0|1,0,1]=4 2961 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,1,0,0,0,0|1,0,1]=4 2962 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,1,0,0,0,0|0,0,2]=4 2963 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [1,1,0,0,0,0|1,0,1]=4 2964 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [1,1,0,0,0,0|1,0,1]=4 2965 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [1,1,0,0,0,0|1,0,1]=4 2966 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [1,1,0,0,0,0|1,0,1]=4 2967 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [1,1,0,0,0,0|1,0,1]=4 2968 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [1,1,0,0,0,0|1,0,1]=4 2969 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [1,1,0,0,0,0|1,0,1]=4 2970 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [1,1,0,0,0,0|1,0,1]=4 2971 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [1,1,0,0,0,0|1,0,1]=4 2972 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,1,0,0,0,0|1,0,1]=4 2973 B9R1.9 C=C1CC(C1)CNCC 2230a_100102567296_100000210202 [0,1,0,0,1,0|2,0,0]=4 2974 B9R1.9 C=C1CC(C1)CNCC 34a_100102567296_100000210202 [0,1,0,0,1,0|2,0,0]=4 2975 B9R1.9 C=C1CC(C1)COCC 34a_100011011225_100000210202 [0,1,0,0,1,0|2,0,0]=4 2976 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [0,1,0,0,1,0|2,0,0]=4 2977 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,1,0,0,1,0|1,0,0]=3 2978 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,1,0,0,1,0|1,0,0]=3 2979 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,1,0,0,1,0|1,0,0]=3 2980 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,1,0,0,1,0|1,0,0]=3 2981 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,1,0,0,1,0|1,0,0]=3 2982 B9R1.9 COCSC1CC(=O)C1 62a_100009894365_100000766300 [0,1,0,0,1,0|2,0,0]=4 2983 B9R1.9 CSCSC1CC(=O)C1 62a_100009894365_100011218213 [0,1,0,0,1,0|2,0,0]=4 2984 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [0,1,0,0,1,0|2,0,0]=4 2985 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [0,1,0,0,1,0|2,0,0]=4 2986 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [0,1,0,0,1,0|2,0,0]=4 2987 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [0,1,0,0,1,0|2,0,0]=4 2988 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [0,1,0,0,1,0|2,0,0]=4 2989 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,1,0,0,1,0|1,0,1]=4 2990 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [0,1,0,0,1,0|2,0,0]=4 2991 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [0,1,0,0,1,0|2,0,0]=4 2992 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [0,1,0,0,1,0|2,0,0]=4 2993 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,1,0,0,1,0|1,0,1]=4 2994 B9R1.82 CCN(C)C1CC(=O)C1 269982a_100000225621_100009894365 [0,1,0,0,1,0|2,0,0]=4 2995 B9R1.39 C#CCNC1CCC1=O 34a_100000212058_100009892977 [0,1,0,0,1,0|0,0,2]=4 2996 B9R1.39 C#CCOC1CCC1=O 34a_100000210247_100009892977 [0,1,0,0,1,0|0,0,2]=4 2997 B9R1.39 C#CCSC1CCC1=O 62a_100000038162_100009892977 [0,1,0,0,1,0|0,0,2]=4 2998 B9R1.39 C=CCOC1CCC1=O 34a_200000210373_100009892977 [0,1,0,0,1,0|0,0,2]=4 2999 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,1,0,0,1,0|0,0,2]=4 3000 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,1,0,0,1,0|0,0,2]=4 3001 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,0,1,0|0,0,0]=2 3002 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,0,1,0|0,0,0]=2 3003 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,0,1,0|0,0,0]=2 3004 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,1,0,0,1,0|0,0,0]=2 3005 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,1,0,0,1,0|0,0,0]=2 3006 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,1,0,0,1,0|1,0,0]=3 3007 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,1,0,0,1,0|1,0,0]=3 3008 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,0,1,0|0,0,0]=2 3009 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,0,1,0|0,0,0]=2 3010 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,1,0,0,1,0|1,0,0]=3 3011 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,1,0,0,1,0|1,0,0]=3 3012 B9R1.39 N#CCSC1CCC1=O 62a_100009892977_100011215382 [0,1,0,0,1,0|1,0,1]=4 3013 B9R1.39 N#CCSC1CCC1=O 62a_100011215382_100009892977 [0,1,0,0,1,0|1,0,1]=4 3014 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,1,0,0,1,0|1,0,0]=3 3015 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,1,0,0,1,0|1,0,0]=3 3016 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,1,0,0,1,0|1,0,0]=3 3017 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,1,0,0,1,0|1,0,0]=3 3018 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,1,0,0,1,0|1,0,0]=3 3019 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,1,0,0,1,0|1,0,0]=3 3020 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,0,1,0|1,0,0]=3 3021 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,0,1,0|1,0,0]=3 3022 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [0,1,0,0,1,0|1,0,1]=4 3023 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [0,1,0,0,1,0|1,0,1]=4 3024 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,0,1,0|0,0,0]=2 3025 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,0,1,0|0,0,0]=2 3026 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,1,0,0,1,0|1,0,0]=3 3027 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,0,1,0|1,0,0]=3 3028 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,1,0,0,1,0|1,0,0]=3 3029 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,1,0,0,1,0|1,0,0]=3 3030 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,0,1,0|0,0,1]=3 3031 B9R1.81 CCN(C)C1CCC1=O 269982a_100000225621_100009892977 [0,1,0,0,1,0|1,0,0]=3 3032 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,1,0,0,1,0|1,0,1]=4 3033 B11R1.1 C=C1CCC(CC1)COCC 34a_100000074039_100000210202 [0,1,0,0,0,1|2,0,0]=4 3034 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [0,1,0,0,0,1|2,0,0]=4 3035 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,1,0,0,0,1|1,0,0]=3 3036 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,1,0,0,0,1|1,0,0]=3 3037 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,1,0,0,0,1|1,0,0]=3 3038 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,1,0,0,0,1|1,0,0]=3 3039 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,1,0,0,0,1|1,0,0]=3 3040 B11R1.1 CCCOC1CNC(=O)NC1 34a_100000080929_100000210303 [0,1,0,0,0,1|2,0,0]=4 3041 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,1,0,0,0,1|1,0,0]=3 3042 B11R1.1 COCNC1CCC(=O)NC1 2230a_100000748762_100000766300 [0,1,0,0,0,1|2,0,0]=4 3043 B11R1.1 CSCNC1CCC(=O)NC1 2230a_100000748762_100011218213 [0,1,0,0,0,1|2,0,0]=4 3044 B11R1.1 CSCNC1CCC(=O)NC1 34a_100000748762_100011218213 [0,1,0,0,0,1|2,0,0]=4 3045 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [0,1,0,0,0,1|2,0,0]=4 3046 B11R1.1 CSCOC1CCC(=O)NC1 34a_100000079199_100011218213 [0,1,0,0,0,1|2,0,0]=4 3047 B11R1.1 O=C1CCC(CC1)COCF 34a_100000062911_100015361967 [0,1,0,0,0,1|2,0,0]=4 3048 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [0,1,0,0,0,1|2,0,0]=4 3049 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [0,1,0,0,0,1|2,0,0]=4 3050 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,1,0,0,0,1|2,0,0]=4 3051 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,1,0,0,0,1|2,0,0]=4 3052 B11R1.1 O=C1CCC(CN1)NCCF 2230a_100000748762_100011217306 [0,1,0,0,0,1|2,0,0]=4 3053 B11R1.1 O=C1CCC(CN1)NCCF 34a_100000748762_100011217306 [0,1,0,0,0,1|2,0,0]=4 3054 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [0,1,0,0,0,1|2,0,0]=4 3055 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [0,1,0,0,0,1|2,0,0]=4 3056 B11R1.1 O=C1CCC(CN1)OCCF 34a_100000079199_100011217306 [0,1,0,0,0,1|2,0,0]=4 3057 B11R1.1 O=C1CCC(CN1)OCCO 34a_100000079199_100000211926 [0,1,0,0,0,1|2,0,0]=4 3058 B11R1.20 CC(C)NC1CCC(=O)NC1 2230a_100000748762_100000210206 [0,1,0,0,0,1|2,0,0]=4 3059 B11R1.20 CC(C)NC1CCC(=O)NC1 34a_100000748762_100000210206 [0,1,0,0,0,1|2,0,0]=4 3060 B11R1.20 CC(C)OC1CCC(=O)CC1 34a_100000764474_100000210206 [0,1,0,0,0,1|2,0,0]=4 3061 B11R1.20 CC(C)OC1CCC(=O)CC1 7a_100000764474_100000210206 [0,1,0,0,0,1|2,0,0]=4 3062 B11R1.20 CC(C)OC1CCC(=O)NC1 34a_100000079199_100000210206 [0,1,0,0,0,1|2,0,0]=4 3063 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,1,0,0,0,1|1,0,1]=4 3064 B11R1.81 CCNC1CCC(=O)NC1=O 2230a_100000691121_100000210202 [0,1,0,0,0,1|2,0,0]=4 3065 B11R1.81 CCNC1CCC(=O)NC1=O 2230a_100015525214_100000694648 [0,1,0,0,0,1|2,0,0]=4 3066 B11R1.81 CCNC1CCC(=O)NC1=O 34a_100000691121_100000210202 [0,1,0,0,0,1|2,0,0]=4 3067 B11R1.81 CCSC1CCC(=O)NC1=O 62a_100000210202_100000694648 [0,1,0,0,0,1|2,0,0]=4 3068 B11R1.81 CCSC1CCC(=O)NC1=O 62a_100000694648_100000210202 [0,1,0,0,0,1|2,0,0]=4 3069 B11R1.192 CCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210202 [0,1,0,0,0,1|2,0,0]=4 3070 B11R1.192 CCNC1CCC(=O)N(C1)C 34a_100011935005_100000210202 [0,1,0,0,0,1|2,0,0]=4 3071 B11R1.1234 CCOC1(CCC(=O)CC1)C 34a_100012184276_100000210202 [0,1,0,0,0,1|2,0,0]=4 3072 B11R1.1234 CCOC1(CCC(=O)CC1)C 7a_100012184276_100000210202 [0,1,0,0,0,1|2,0,0]=4 3073 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,1,0,0,0,1|2,0,0]=4 3074 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,1,0,0,0,1|2,0,0]=4 3075 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,1,0,0,0,1|2,0,0]=4 3076 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,1,0,0,0,1|2,0,0]=4 3077 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,1,0,0,0,1|2,0,0]=4 3078 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,1,0,0,0,1|2,0,0]=4 3079 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,1,0,0,0,1|2,0,0]=4 3080 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,1,0,0,0,1|1,0,1]=4 3081 B11R1.23 CCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210202 [0,1,0,0,0,1|1,0,1]=4 3082 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,0,0,1|1,0,1]=4 3083 B11R1.23 CCC(C)N1CCNC(=O)C1 2230a_100000184651_100000758301 [0,1,0,0,0,1|2,0,0]=4 3084 B11R1.23 CCC(C)N1CCOC(=O)C1 2230a_100000131268_100000758301 [0,1,0,0,0,1|2,0,0]=4 3085 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,1,0,0,0,1|2,0,0]=4 3086 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,0,0,1|2,0,0]=4 3087 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,1,0,0,0,1|1,0,0]=3 3088 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,1,0,0,0,1|1,0,0]=3 3089 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,1,0,0,0,1|2,0,0]=4 3090 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,0,0,1|1,0,0]=3 3091 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,1,0,0,0,1|1,0,0]=3 3092 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,1,0,0,0,1|1,0,0]=3 3093 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,1,0,0,0,1|1,0,0]=3 3094 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,1,0,0,0,1|1,0,0]=3 3095 B11R1.24 COCCN1CCNC(=O)C1 2230a_100000184651_100011201679 [0,1,0,0,0,1|2,0,0]=4 3096 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,1,0,0,0,1|2,0,0]=4 3097 B11R1.24 COCNC1CCNC(=O)C1 2230a_100016994916_100000766300 [0,1,0,0,0,1|2,0,0]=4 3098 B11R1.24 CSCCN1CCNC(=O)C1 2230a_100000184651_100000751147 [0,1,0,0,0,1|2,0,0]=4 3099 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,1,0,0,0,1|2,0,0]=4 3100 B11R1.24 CSCNC1CCNC(=O)C1 2230a_100016994916_100011218213 [0,1,0,0,0,1|2,0,0]=4 3101 B11R1.24 CSCNC1CCNC(=O)C1 34a_100016994916_100011218213 [0,1,0,0,0,1|2,0,0]=4 3102 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,1,0,0,0,1|2,0,0]=4 3103 B11R1.24 CSCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218213 [0,1,0,0,0,1|2,0,0]=4 3104 B11R1.24 O=C1CC(CCN1)COCF 34a_100009886756_100015361967 [0,1,0,0,0,1|2,0,0]=4 3105 B11R1.24 O=C1CC(CCN1)NCCF 2230a_100016994916_100011217306 [0,1,0,0,0,1|2,0,0]=4 3106 B11R1.24 O=C1CC(CCN1)NCCF 34a_100016994916_100011217306 [0,1,0,0,0,1|2,0,0]=4 3107 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,1,0,0,0,1|2,0,0]=4 3108 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,1,0,0,0,1|2,0,0]=4 3109 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,1,0,0,0,1|2,0,0]=4 3110 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,0,0,1|2,0,0]=4 3111 B11R1.24 O=C1CCCC(N1)COCF 34a_200000102386_100015361967 [0,1,0,0,0,1|2,0,0]=4 3112 B11R1.24 O=C1CN(CCN1)CCCF 2230a_100000184651_100011934791 [0,1,0,0,0,1|2,0,0]=4 3113 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,1,0,0,0,1|2,0,0]=4 3114 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,1,0,0,0,1|2,0,0]=4 3115 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,0,0,1|2,0,0]=4 3116 B11R1.24 O=C1COCC(N1)COCF 34a_200000101122_100015361967 [0,1,0,0,0,1|2,0,0]=4 3117 B11R1.24 O=C1C[C@@H](CCN1)OCCF 34a_100015189427_100011217306 [0,1,0,0,0,1|2,0,0]=4 3118 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,1,0,0,0,1|2,0,0]=4 3119 B11R1.157 CC(C)CN1CCNC(=O)C1 2230a_100000184651_100000210760 [0,1,0,0,0,1|2,0,0]=4 3120 B11R1.157 CC(C)CN1CCNC(=O)C1 270004a_100000184651_100000210432 [0,1,0,0,0,1|2,0,0]=4 3121 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,1,0,0,0,1|2,0,0]=4 3122 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,1,0,0,0,1|2,0,0]=4 3123 B11R1.157 CC(C)NC1CCNC(=O)C1 2230a_100016994916_100000210206 [0,1,0,0,0,1|2,0,0]=4 3124 B11R1.157 CC(C)NC1CCNC(=O)C1 34a_100016994916_100000210206 [0,1,0,0,0,1|2,0,0]=4 3125 B11R1.157 CC(C)OC1CCCC(=O)C1 34a_100012613340_100000210206 [0,1,0,0,0,1|2,0,0]=4 3126 B11R1.157 CC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000210206 [0,1,0,0,0,1|2,0,0]=4 3127 B11R1.157 CC(O)CN1CCNC(=O)C1 2230a_100000184651_100011218427 [0,1,0,0,0,1|2,0,0]=4 3128 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,1,0,0,0,1|2,0,0]=4 3129 B11R1.157 C[C@@H](O)CN1CCNC(=O)C1 2230a_100000184651_100009817552 [0,1,0,0,0,1|2,0,0]=4 3130 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,1,0,0,0,1|2,0,0]=4 3131 B11R1.15 C#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000184674 [0,2,0,0,0,0|0,0,2]=4 3132 B11R1.15 C=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210623 [0,2,0,0,0,0|0,0,2]=4 3133 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,2,0,0,0,0|1,0,0]=3 3134 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [0,2,0,0,0,0|2,0,0]=4 3135 B11R1.15 CCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210303 [0,2,0,0,0,0|2,0,0]=4 3136 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,2,0,0,0,0|0,0,0]=2 3137 B11R1.15 CCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210303 [0,2,0,0,0,0|2,0,0]=4 3138 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [0,2,0,0,0,0|1,0,1]=4 3139 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,2,0,0,0,0|0,0,1]=3 3140 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,2,0,0,0,0|0,0,1]=3 3141 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,2,0,0,0,0|0,0,1]=3 3142 B11R1.15 CNNC(=O)[C@@H]1CCC(=O)O1 22a_100016993582_100009814974 [0,2,0,0,0,0|1,0,1]=4 3143 B11R1.15 N#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011214920 [0,2,0,0,0,0|0,0,2]=4 3144 B11R1.15 O=C1CCC(N1)C(=O)CCF 1458a_100000210400_100011217306 [0,2,0,0,0,0|1,0,1]=4 3145 B11R1.15 O=C1CCC(N1)C(=O)CCO 1458a_100000210400_100000211926 [0,2,0,0,0,0|1,0,1]=4 3146 B11R1.15 O=C1CC[C@H](O1)C(=O)CCF 1458a_100009814974_100011217306 [0,2,0,0,0,0|0,0,1]=3 3147 B11R1.15 O=C1CC[C@H](O1)C(=O)CCO 1458a_100009814974_100000211926 [0,2,0,0,0,0|0,0,1]=3 3148 B11R1.314 CC(C)C(=O)C1CCC(=O)N1 1458a_100000210400_100000210206 [0,2,0,0,0,0|1,0,1]=4 3149 B11R1.314 CC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210206 [0,2,0,0,0,0|0,0,1]=3 3150 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100102631434_100009814974 [0,2,0,0,0,0|1,0,1]=4 3151 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100102631434_100009814974 [0,2,0,0,0,0|1,0,1]=4 3152 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100102631434_100009814974 [0,2,0,0,0,0|1,0,1]=4 3153 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100102631434_100009814974 [0,2,0,0,0,0|1,0,1]=4 3154 B11R1.865 CCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210202 [0,2,0,0,0,0|1,0,1]=4 3155 B11R1.27 C#CCCNC1COC(=O)O1 34a_100000755551_100000032252 [0,2,0,0,0,0|1,0,1]=4 3156 B11R1.27 C#CCCOC1CCC(=O)C1 34a_100012614533_100000688953 [0,2,0,0,0,0|1,0,1]=4 3157 B11R1.27 C#CCCOC1COC(=O)O1 34a_100011215631_100000032252 [0,2,0,0,0,0|1,0,1]=4 3158 B11R1.27 C#CCCSC1COC(=O)O1 62a_100000688953_100000032252 [0,2,0,0,0,0|1,0,1]=4 3159 B11R1.27 C#CCNCC1CNC(=O)O1 34a_100000212058_100000181169 [0,2,0,0,0,0|1,0,1]=4 3160 B11R1.27 C#CCNCC1COC(=O)O1 34a_100000212058_100000073702 [0,2,0,0,0,0|1,0,1]=4 3161 B11R1.27 C#CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000038162 [0,2,0,0,0,0|1,0,1]=4 3162 B11R1.27 C#CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000184674 [0,2,0,0,0,0|1,0,1]=4 3163 B11R1.27 C#CCOCC1CCC(=O)N1 34a_100000737831_100000184674 [0,2,0,0,0,0|1,0,1]=4 3164 B11R1.27 C#CCOCC1CNC(=O)O1 34a_100000210247_100000181169 [0,2,0,0,0,0|1,0,1]=4 3165 B11R1.27 C#CCOCC1CNC(=O)O1 34a_100011315639_100000184674 [0,2,0,0,0,0|1,0,1]=4 3166 B11R1.27 C#CCOCC1COC(=O)O1 34a_100000210247_100000073702 [0,2,0,0,0,0|1,0,1]=4 3167 B11R1.27 C#CCSCC1CNC(=O)O1 62a_100000038162_100000181169 [0,2,0,0,0,0|1,0,1]=4 3168 B11R1.27 C#CCSCC1COC(=O)O1 62a_100000038162_100000073702 [0,2,0,0,0,0|1,0,1]=4 3169 B11R1.27 C#CCSC[C@@H]1CCC(=O)N1 62a_100000038162_100015189358 [0,2,0,0,0,0|1,0,1]=4 3170 B11R1.27 C/C=C/COC1CCC(=O)C1 34a_100012614533_100102629194 [0,2,0,0,0,0|1,0,1]=4 3171 B11R1.27 C/C=C/COC1COC(=O)O1 34a_100016270725_100000032252 [0,2,0,0,0,0|1,0,1]=4 3172 B11R1.27 C/C=C/CSC1COC(=O)O1 62a_100102629194_100000032252 [0,2,0,0,0,0|1,0,1]=4 3173 B11R1.27 C=CCCOC1CCC(=O)C1 34a_100012614533_100000754431 [0,2,0,0,0,0|1,0,1]=4 3174 B11R1.27 C=CCCOC1COC(=O)O1 34a_100011205117_100000032252 [0,2,0,0,0,0|1,0,1]=4 3175 B11R1.27 C=CCCSC1COC(=O)O1 62a_100000754431_100000032252 [0,2,0,0,0,0|1,0,1]=4 3176 B11R1.27 C=CCNCC1CNC(=O)O1 2230a_100020586998_100000181169 [0,2,0,0,0,0|1,0,1]=4 3177 B11R1.27 C=CCNC[C@@H]1CCC(=O)N1 2230a_100020586998_100015189358 [0,2,0,0,0,0|1,0,1]=4 3178 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210623 [0,2,0,0,0,0|1,0,1]=4 3179 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 34a_100015423886_100015514636 [0,2,0,0,0,0|1,0,1]=4 3180 B11R1.27 C=CCOCC1CCC(=O)N1 34a_100000737831_100015514636 [0,2,0,0,0,0|1,0,1]=4 3181 B11R1.27 C=CCOCC1CNC(=O)O1 34a_100011315639_100015514636 [0,2,0,0,0,0|1,0,1]=4 3182 B11R1.27 C=CCOCC1CNC(=O)O1 34a_200000210373_100000181169 [0,2,0,0,0,0|1,0,1]=4 3183 B11R1.27 C=CCOCC1COC(=O)O1 34a_200000210373_100000073702 [0,2,0,0,0,0|1,0,1]=4 3184 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000181169_100000210623 [0,2,0,0,0,0|1,0,1]=4 3185 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000210623_100000181169 [0,2,0,0,0,0|1,0,1]=4 3186 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000073702_100000210623 [0,2,0,0,0,0|1,0,1]=4 3187 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000210623_100000073702 [0,2,0,0,0,0|1,0,1]=4 3188 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100000210623_100015189358 [0,2,0,0,0,0|1,0,1]=4 3189 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210623 [0,2,0,0,0,0|1,0,1]=4 3190 B11R1.27 CC#CCNC1COC(=O)O1 34a_100000685387_100000032252 [0,2,0,0,0,0|1,0,1]=4 3191 B11R1.27 CC#CCOC1CCC(=O)C1 34a_100012614533_100000748600 [0,2,0,0,0,0|1,0,1]=4 3192 B11R1.27 CC#CCOC1COC(=O)O1 34a_100000761923_100000032252 [0,2,0,0,0,0|1,0,1]=4 3193 B11R1.27 CC#CCSC1COC(=O)O1 62a_100000748600_100000032252 [0,2,0,0,0,0|1,0,1]=4 3194 B11R1.27 CC=CCOC1CCC(=O)C1 34a_100012614533_100000070051 [0,2,0,0,0,0|1,0,1]=4 3195 B11R1.27 CC=CCSC1COC(=O)O1 62a_100000070051_100000032252 [0,2,0,0,0,0|1,0,1]=4 3196 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,2,0,0,0,0|2,0,0]=4 3197 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,2,0,0,0,0|1,0,0]=3 3198 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,2,0,0,0,0|2,0,0]=4 3199 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,2,0,0,0,0|1,0,0]=3 3200 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,2,0,0,0,0|1,0,0]=3 3201 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,2,0,0,0,0|2,0,0]=4 3202 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,2,0,0,0,0|2,0,0]=4 3203 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,2,0,0,0,0|1,0,0]=3 3204 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,2,0,0,0,0|1,0,0]=3 3205 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,2,0,0,0,0|1,0,0]=3 3206 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,2,0,0,0,0|2,0,0]=4 3207 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,2,0,0,0,0|1,0,0]=3 3208 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,2,0,0,0,0|1,0,0]=3 3209 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,2,0,0,0,0|1,0,0]=3 3210 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,2,0,0,0,0|2,0,0]=4 3211 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,2,0,0,0,0|1,0,0]=3 3212 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,2,0,0,0,0|1,0,0]=3 3213 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,2,0,0,0,0|1,0,0]=3 3214 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,2,0,0,0,0|1,0,0]=3 3215 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,2,0,0,0,0|1,0,0]=3 3216 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,2,0,0,0,0|1,0,0]=3 3217 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,2,0,0,0,0|2,0,0]=4 3218 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,2,0,0,0,0|2,0,0]=4 3219 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [0,2,0,0,0,0|1,0,0]=3 3220 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [0,2,0,0,0,0|2,0,0]=4 3221 B11R1.27 COCCNC1CNC(=O)C1 2230a_100000697751_100011201679 [0,2,0,0,0,0|2,0,0]=4 3222 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,2,0,0,0,0|1,0,0]=3 3223 B11R1.27 COCCOC1CNC(=O)C1 34a_100000690082_100011201679 [0,2,0,0,0,0|2,0,0]=4 3224 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [0,2,0,0,0,0|1,0,0]=3 3225 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [0,2,0,0,0,0|1,0,0]=3 3226 B11R1.27 COCNCC1CNC(=O)C1 2230a_100016993742_100000766300 [0,2,0,0,0,0|2,0,0]=4 3227 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [0,2,0,0,0,0|1,0,0]=3 3228 B11R1.27 COCSCC1CNC(=O)O1 62a_100000181169_100000766300 [0,2,0,0,0,0|1,0,0]=3 3229 B11R1.27 COCSCC1CNC(=O)O1 62a_100000766300_100000181169 [0,2,0,0,0,0|1,0,0]=3 3230 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,2,0,0,0,0|1,0,0]=3 3231 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,2,0,0,0,0|1,0,0]=3 3232 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [0,2,0,0,0,0|1,0,0]=3 3233 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [0,2,0,0,0,0|1,0,0]=3 3234 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100000766300_100015307671 [0,2,0,0,0,0|2,0,0]=4 3235 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100015307671_100000766300 [0,2,0,0,0,0|2,0,0]=4 3236 B11R1.27 CSCCNC1CNC(=O)C1 2230a_100000697751_100000751147 [0,2,0,0,0,0|2,0,0]=4 3237 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,2,0,0,0,0|1,0,0]=3 3238 B11R1.27 CSCCOC1CNC(=O)C1 34a_100000690082_100000212216 [0,2,0,0,0,0|2,0,0]=4 3239 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [0,2,0,0,0,0|1,0,0]=3 3240 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [0,2,0,0,0,0|1,0,0]=3 3241 B11R1.27 CSCNCC1CNC(=O)C1 2230a_100016993742_100011218213 [0,2,0,0,0,0|2,0,0]=4 3242 B11R1.27 CSCNCC1CNC(=O)C1 34a_100016993742_100011218213 [0,2,0,0,0,0|2,0,0]=4 3243 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [0,2,0,0,0,0|1,0,0]=3 3244 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [0,2,0,0,0,0|1,0,0]=3 3245 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [0,2,0,0,0,0|1,0,0]=3 3246 B11R1.27 CSCOCC1CNC(=O)C1 34a_100016041077_100011218213 [0,2,0,0,0,0|2,0,0]=4 3247 B11R1.27 CSCOCC1CNC(=O)O1 34a_100011315639_100011218213 [0,2,0,0,0,0|1,0,0]=3 3248 B11R1.27 CSCSCC1CNC(=O)O1 62a_100000181169_100011218213 [0,2,0,0,0,0|1,0,0]=3 3249 B11R1.27 CSCSCC1CNC(=O)O1 62a_100011218213_100000181169 [0,2,0,0,0,0|1,0,0]=3 3250 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,2,0,0,0,0|1,0,0]=3 3251 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,2,0,0,0,0|1,0,0]=3 3252 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [0,2,0,0,0,0|1,0,0]=3 3253 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [0,2,0,0,0,0|1,0,0]=3 3254 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100011218213_100015307671 [0,2,0,0,0,0|2,0,0]=4 3255 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100015307671_100011218213 [0,2,0,0,0,0|2,0,0]=4 3256 B11R1.27 N#CCCSC1COC(=O)O1 62a_100011215226_100000032252 [0,2,0,0,0,0|1,0,1]=4 3257 B11R1.27 N#CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215382 [0,2,0,0,0,0|1,0,1]=4 3258 B11R1.27 N#CCSCC1CNC(=O)O1 62a_100000181169_100011215382 [0,2,0,0,0,0|1,0,1]=4 3259 B11R1.27 N#CCSCC1CNC(=O)O1 62a_100011215382_100000181169 [0,2,0,0,0,0|1,0,1]=4 3260 B11R1.27 N#CCSCC1COC(=O)O1 62a_100000073702_100011215382 [0,2,0,0,0,0|1,0,1]=4 3261 B11R1.27 N#CCSCC1COC(=O)O1 62a_100011215382_100000073702 [0,2,0,0,0,0|1,0,1]=4 3262 B11R1.27 N#CCSC[C@@H]1CCC(=O)N1 62a_100011215382_100015189358 [0,2,0,0,0,0|1,0,1]=4 3263 B11R1.27 N#CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215382 [0,2,0,0,0,0|1,0,1]=4 3264 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,2,0,0,0,0|1,0,0]=3 3265 B11R1.27 NCCOCC1CNC(=O)O1 34a_100000210304_100000181169 [0,2,0,0,0,0|1,0,0]=3 3266 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,2,0,0,0,0|1,0,0]=3 3267 B11R1.27 NCCOC[C@H]1COC(=O)N1 34a_100000210304_100015307671 [0,2,0,0,0,0|2,0,0]=4 3268 B11R1.27 NOCCOC1COC(=O)O1 34a_100000700252_100000032252 [0,2,0,0,0,0|2,0,0]=4 3269 B11R1.27 O=C1CC(CN1)CNCCF 2230a_100016993742_100011217306 [0,2,0,0,0,0|2,0,0]=4 3270 B11R1.27 O=C1CC(CN1)CNCCF 34a_100016993742_100011217306 [0,2,0,0,0,0|2,0,0]=4 3271 B11R1.27 O=C1CC(CN1)CNCCO 2230a_100016993742_100000211926 [0,2,0,0,0,0|2,0,0]=4 3272 B11R1.27 O=C1CC(CN1)CNCCO 34a_100016993742_100000211926 [0,2,0,0,0,0|2,0,0]=4 3273 B11R1.27 O=C1CC(CN1)COCCF 34a_100016041077_100011217306 [0,2,0,0,0,0|2,0,0]=4 3274 B11R1.27 O=C1CC(CN1)COCCO 34a_100016041077_100000211926 [0,2,0,0,0,0|2,0,0]=4 3275 B11R1.27 O=C1CC(CN1)NCCCF 2230a_100000697751_100011934791 [0,2,0,0,0,0|2,0,0]=4 3276 B11R1.27 O=C1CC(CN1)NCCCO 2230a_100000697751_100000230001 [0,2,0,0,0,0|2,0,0]=4 3277 B11R1.27 O=C1CC(CN1)OCCCF 34a_100000690082_100011934791 [0,2,0,0,0,0|2,0,0]=4 3278 B11R1.27 O=C1CC(CN1)OCCCO 34a_100000690082_100000230001 [0,2,0,0,0,0|2,0,0]=4 3279 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,2,0,0,0,0|1,0,0]=3 3280 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,2,0,0,0,0|1,0,0]=3 3281 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [0,2,0,0,0,0|1,0,0]=3 3282 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,2,0,0,0,0|1,0,0]=3 3283 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [0,2,0,0,0,0|1,0,0]=3 3284 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [0,2,0,0,0,0|1,0,0]=3 3285 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,2,0,0,0,0|1,0,0]=3 3286 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,2,0,0,0,0|1,0,0]=3 3287 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,2,0,0,0,0|1,0,0]=3 3288 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,2,0,0,0,0|1,0,0]=3 3289 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,2,0,0,0,0|1,0,0]=3 3290 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,2,0,0,0,0|1,0,0]=3 3291 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,2,0,0,0,0|1,0,0]=3 3292 B11R1.27 O=C1NCC(O1)CNCCF 34a_100000724931_100000181169 [0,2,0,0,0,0|1,0,0]=3 3293 B11R1.27 O=C1NCC(O1)CNCCO 2230a_100016997473_100000181169 [0,2,0,0,0,0|1,0,0]=3 3294 B11R1.27 O=C1NCC(O1)CNCCO 34a_100016990907_100000181169 [0,2,0,0,0,0|1,0,0]=3 3295 B11R1.27 O=C1NCC(O1)COCCBr 34a_100000211926_100000181169 [0,2,0,0,0,0|1,0,0]=3 3296 B11R1.27 O=C1NCC(O1)COCCF 34a_100011315639_100011217306 [0,2,0,0,0,0|1,0,0]=3 3297 B11R1.27 O=C1NCC(O1)COCCO 34a_100011315639_100000211926 [0,2,0,0,0,0|1,0,0]=3 3298 B11R1.27 O=C1NCC(O1)CSCCF 62a_100000181169_100011217306 [0,2,0,0,0,0|1,0,0]=3 3299 B11R1.27 O=C1NCC(O1)CSCCF 62a_100011217306_100000181169 [0,2,0,0,0,0|1,0,0]=3 3300 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000181169_100000211926 [0,2,0,0,0,0|1,0,0]=3 3301 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000211926_100000181169 [0,2,0,0,0,0|1,0,0]=3 3302 B11R1.27 O=C1N[C@H](CO1)CNCCF 34a_100000724931_100015307671 [0,2,0,0,0,0|2,0,0]=4 3303 B11R1.27 O=C1N[C@H](CO1)CNCCO 2230a_100016997473_100015307671 [0,2,0,0,0,0|2,0,0]=4 3304 B11R1.27 O=C1N[C@H](CO1)CNCCO 34a_100016990907_100015307671 [0,2,0,0,0,0|2,0,0]=4 3305 B11R1.27 O=C1N[C@H](CO1)COCCBr 34a_100000211926_100015307671 [0,2,0,0,0,0|2,0,0]=4 3306 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100011217306_100015307671 [0,2,0,0,0,0|2,0,0]=4 3307 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100015307671_100011217306 [0,2,0,0,0,0|2,0,0]=4 3308 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100000211926_100015307671 [0,2,0,0,0,0|2,0,0]=4 3309 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100015307671_100000211926 [0,2,0,0,0,0|2,0,0]=4 3310 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,2,0,0,0,0|1,0,0]=3 3311 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,2,0,0,0,0|1,0,0]=3 3312 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,2,0,0,0,0|1,0,0]=3 3313 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,2,0,0,0,0|1,0,0]=3 3314 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,2,0,0,0,0|1,0,0]=3 3315 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,2,0,0,0,0|1,0,0]=3 3316 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,2,0,0,0,0|1,0,0]=3 3317 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [0,2,0,0,0,0|1,0,0]=3 3318 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [0,2,0,0,0,0|1,0,0]=3 3319 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [0,2,0,0,0,0|1,0,0]=3 3320 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [0,2,0,0,0,0|1,0,0]=3 3321 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [0,2,0,0,0,0|1,0,0]=3 3322 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,2,0,0,0,0|1,0,0]=3 3323 B11R1.27 O=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_200015260668 [0,2,0,0,0,0|1,0,1]=4 3324 B11R1.27 O=CCNC[C@H]1CCC(=O)N1 34a_100015423886_200009817547 [0,2,0,0,0,0|1,0,1]=4 3325 B11R1.27 O=CCOCC1CCC(=O)N1 34a_100000737831_200009817547 [0,2,0,0,0,0|1,0,1]=4 3326 B11R1.27 O=CCOCC1CNC(=O)O1 34a_100011315639_200009817547 [0,2,0,0,0,0|1,0,1]=4 3327 B11R1.27 O=CCSCC1CNC(=O)O1 62a_100000181169_200015260668 [0,2,0,0,0,0|1,0,1]=4 3328 B11R1.27 O=CCSCC1CNC(=O)O1 62a_200015260668_100000181169 [0,2,0,0,0,0|1,0,1]=4 3329 B11R1.27 O=CCSCC1COC(=O)O1 62a_100000073702_200015260668 [0,2,0,0,0,0|1,0,1]=4 3330 B11R1.27 O=CCSCC1COC(=O)O1 62a_200015260668_100000073702 [0,2,0,0,0,0|1,0,1]=4 3331 B11R1.27 O=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_200015260668 [0,2,0,0,0,0|1,0,1]=4 3332 B11R1.27 O=CCSC[C@@H]1CCC(=O)N1 62a_200015260668_100015189358 [0,2,0,0,0,0|1,0,1]=4 3333 B11R1.27 O=S1OCC(O1)CCSCF 62a_100015361967_100009840081 [0,2,0,0,0,0|2,0,0]=4 3334 B11R1.39 C#CC(C)NC1COC(=O)O1 34a_100000707721_100000032252 [0,2,0,0,0,0|2,0,0]=4 3335 B11R1.39 C#CC(C)OC1CCC(=O)C1 34a_100012614533_200000035995 [0,2,0,0,0,0|2,0,0]=4 3336 B11R1.39 C#CC(C)SC1COC(=O)O1 62a_200000035995_100000032252 [0,2,0,0,0,0|2,0,0]=4 3337 B11R1.39 C#C[C@@H](C)OC1COC(=O)O1 34a_100009815206_100000032252 [0,2,0,0,0,0|2,0,0]=4 3338 B11R1.39 C=CC(C)OC1COC(=O)O1 34a_100000695699_100000032252 [0,2,0,0,0,0|2,0,0]=4 3339 B11R1.39 C=CC(C)SC1COC(=O)O1 62a_100011215867_100000032252 [0,2,0,0,0,0|2,0,0]=4 3340 B11R1.39 CC(C#N)OC1COC(=O)O1 34a_100011218135_100000032252 [0,2,0,0,0,0|2,0,0]=4 3341 B11R1.39 CC(C#N)SC1COC(=O)O1 62a_100000703298_100000032252 [0,2,0,0,0,0|2,0,0]=4 3342 B11R1.39 CC(CF)OC1COC(=O)O1 34a_100016041109_100000032252 [0,2,0,0,0,0|2,0,0]=4 3343 B11R1.39 CC(CN)OC1COC(=O)O1 34a_100000210904_100000032252 [0,2,0,0,0,0|2,0,0]=4 3344 B11R1.39 CC(CO)OC1CCC(=O)C1 34a_100012614533_100012180447 [0,2,0,0,0,0|2,0,0]=4 3345 B11R1.39 CC(CO)SC1COC(=O)O1 62a_100012180447_100000032252 [0,2,0,0,0,0|2,0,0]=4 3346 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,2,0,0,0,0|1,0,0]=3 3347 B11R1.39 CCC(=O)CC1CNC(=O)O1 1458a_100000210414_100000181169 [0,2,0,0,0,0|1,0,0]=3 3348 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [0,2,0,0,0,0|1,0,0]=3 3349 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,2,0,0,0,0|1,0,0]=3 3350 B11R1.39 CCC(=O)C[C@H]1COC(=O)N1 1458a_100000210414_100015307671 [0,2,0,0,0,0|2,0,0]=4 3351 B11R1.39 CCC(C)NC1CNC(=O)C1 2230a_100000697751_100000758301 [0,2,0,0,0,0|2,0,0]=4 3352 B11R1.39 CCC(C)OC1CCC(=O)C1 34a_100012614533_100011215416 [0,2,0,0,0,0|1,0,0]=3 3353 B11R1.39 CCC(C)OC1CNC(=O)C1 34a_100000690082_100011215416 [0,2,0,0,0,0|2,0,0]=4 3354 B11R1.39 CCC(C)SC1COC(=O)O1 62a_100000758301_100000032252 [0,2,0,0,0,0|1,0,0]=3 3355 B11R1.39 CCN(C)CC1CNC(=O)O1 2230a_100000225621_100000181169 [0,2,0,0,0,0|1,0,0]=3 3356 B11R1.39 CCN(C)CC1CNC(=O)O1 269982a_100000225621_100000181169 [0,2,0,0,0,0|1,0,0]=3 3357 B11R1.39 CCN(C)CC1COC(=O)O1 269982a_100000225621_100000073702 [0,2,0,0,0,0|1,0,0]=3 3358 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 2230a_100000225621_100015189358 [0,2,0,0,0,0|1,0,0]=3 3359 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 269982a_100000225621_100015189358 [0,2,0,0,0,0|1,0,0]=3 3360 B11R1.39 CCN(C)C[C@H]1COC(=O)N1 2230a_100000225621_100015307671 [0,2,0,0,0,0|2,0,0]=4 3361 B11R1.39 CCN(C)C[C@H]1COC(=O)N1 269982a_100000225621_100015307671 [0,2,0,0,0,0|2,0,0]=4 3362 B11R1.39 CNC(=O)CC1CCC(=O)N1 1626a_100102657272_100000026770 [0,2,0,0,0,0|1,0,1]=4 3363 B11R1.39 CNC(=O)CC1CCC(=O)N1 240690a_100102657272_100000026770 [0,2,0,0,0,0|1,0,1]=4 3364 B11R1.39 COC(C)SC1COC(=O)O1 62a_100009879195_100000032252 [0,2,0,0,0,0|2,0,0]=4 3365 B11R1.39 C[C@H](CO)SC1COC(=O)O1 62a_100016084084_100000032252 [0,2,0,0,0,0|2,0,0]=4 3366 B11R1.39 O=C(CF)CC1CCC(=O)N1 1458a_100000026770_100015361967 [0,2,0,0,0,0|1,0,1]=4 3367 B11R1.39 O=C(CO)CC1CNC(=O)O1 1458a_100000210174_100000181169 [0,2,0,0,0,0|1,0,1]=4 3368 B11R1.39 O=C(CO)CC1COC(=O)O1 1458a_100000210174_100000073702 [0,2,0,0,0,0|1,0,1]=4 3369 B11R1.39 O=C(CO)C[C@@H]1CCC(=O)N1 1458a_100000210174_100015189358 [0,2,0,0,0,0|1,0,1]=4 3370 B11R1.75 C=C(C)COC1CCC(=O)C1 34a_100012614533_100000748629 [0,2,0,0,0,0|1,0,1]=4 3371 B11R1.75 C=C(C)COC1COC(=O)O1 34a_100000210245_100000032252 [0,2,0,0,0,0|1,0,1]=4 3372 B11R1.75 C=C(C)CSC1COC(=O)O1 62a_100000748629_100000032252 [0,2,0,0,0,0|1,0,1]=4 3373 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,2,0,0,0,0|2,0,0]=4 3374 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,2,0,0,0,0|1,0,1]=4 3375 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,2,0,0,0,0|1,0,1]=4 3376 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,2,0,0,0,0|1,0,1]=4 3377 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,2,0,0,0,0|1,0,1]=4 3378 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,2,0,0,0,0|1,0,1]=4 3379 B11R1.75 CC(Br)COC1COC(=O)O1 34a_100012180447_100000032252 [0,2,0,0,0,0|1,0,0]=3 3380 B11R1.75 CC(C)CNC1CNC(=O)C1 2230a_100000697751_100000210760 [0,2,0,0,0,0|2,0,0]=4 3381 B11R1.75 CC(C)CNC1COC(=O)O1 34a_100000210953_100000032252 [0,2,0,0,0,0|1,0,0]=3 3382 B11R1.75 CC(C)COC1CCC(=O)C1 34a_100012614533_100000210624 [0,2,0,0,0,0|1,0,0]=3 3383 B11R1.75 CC(C)COC1CNC(=O)C1 34a_100000690082_100000210624 [0,2,0,0,0,0|2,0,0]=4 3384 B11R1.75 CC(C)COC1COC(=O)O1 34a_100000210257_100000032252 [0,2,0,0,0,0|1,0,0]=3 3385 B11R1.75 CC(C)CSC1COC(=O)O1 62a_100000210624_100000032252 [0,2,0,0,0,0|1,0,0]=3 3386 B11R1.75 CC(C)NCC1CNC(=O)C1 2230a_100016993742_100000210206 [0,2,0,0,0,0|2,0,0]=4 3387 B11R1.75 CC(C)NCC1CNC(=O)C1 34a_100016993742_100000210206 [0,2,0,0,0,0|2,0,0]=4 3388 B11R1.75 CC(C)NCC1CNC(=O)O1 2230a_100138425928_100000181169 [0,2,0,0,0,0|1,0,0]=3 3389 B11R1.75 CC(C)NCC1CNC(=O)O1 34a_100138425928_100000181169 [0,2,0,0,0,0|1,0,0]=3 3390 B11R1.75 CC(C)NCC1COC(=O)O1 34a_100138425928_100000073702 [0,2,0,0,0,0|1,0,0]=3 3391 B11R1.75 CC(C)NC[C@@H]1CCC(=O)N1 2230a_100138425928_100015189358 [0,2,0,0,0,0|1,0,0]=3 3392 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000210206 [0,2,0,0,0,0|1,0,0]=3 3393 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000210206 [0,2,0,0,0,0|1,0,0]=3 3394 B11R1.75 CC(C)NC[C@H]1COC(=O)N1 2230a_100138425928_100015307671 [0,2,0,0,0,0|2,0,0]=4 3395 B11R1.75 CC(C)NC[C@H]1COC(=O)N1 34a_100138425928_100015307671 [0,2,0,0,0,0|2,0,0]=4 3396 B11R1.75 CC(C)OCC1CCC(=O)N1 34a_100000737831_100000210206 [0,2,0,0,0,0|1,0,0]=3 3397 B11R1.75 CC(C)OCC1CNC(=O)C1 34a_100016041077_100000210206 [0,2,0,0,0,0|2,0,0]=4 3398 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100000212225_100000181169 [0,2,0,0,0,0|1,0,0]=3 3399 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100011315639_100000210206 [0,2,0,0,0,0|1,0,0]=3 3400 B11R1.75 CC(C)OCC1COC(=O)O1 34a_100000212225_100000073702 [0,2,0,0,0,0|1,0,0]=3 3401 B11R1.75 CC(C)OC[C@H]1COC(=O)N1 34a_100000212225_100015307671 [0,2,0,0,0,0|2,0,0]=4 3402 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000181169_100000210206 [0,2,0,0,0,0|1,0,0]=3 3403 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000210206_100000181169 [0,2,0,0,0,0|1,0,0]=3 3404 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000073702_100000210206 [0,2,0,0,0,0|1,0,0]=3 3405 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000210206_100000073702 [0,2,0,0,0,0|1,0,0]=3 3406 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100000210206_100015189358 [0,2,0,0,0,0|1,0,0]=3 3407 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000210206 [0,2,0,0,0,0|1,0,0]=3 3408 B11R1.75 CC(C)SC[C@H]1COC(=O)N1 62a_100000210206_100015307671 [0,2,0,0,0,0|2,0,0]=4 3409 B11R1.75 CC(C)SC[C@H]1COC(=O)N1 62a_100015307671_100000210206 [0,2,0,0,0,0|2,0,0]=4 3410 B11R1.75 CC(F)COC1COC(=O)O1 34a_100015925927_100000032252 [0,2,0,0,0,0|1,0,0]=3 3411 B11R1.75 CC(O)CNC1CNC(=O)C1 2230a_100000697751_100011218427 [0,2,0,0,0,0|2,0,0]=4 3412 B11R1.75 CC(O)CNC1COC(=O)O1 34a_100000210904_100000032252 [0,2,0,0,0,0|1,0,0]=3 3413 B11R1.75 CC(O)COC1CCC(=O)C1 34a_100012614533_100011218427 [0,2,0,0,0,0|1,0,0]=3 3414 B11R1.75 CC(O)COC1CNC(=O)C1 34a_100000690082_100011218427 [0,2,0,0,0,0|2,0,0]=4 3415 B11R1.75 CC(O)CSC1COC(=O)O1 62a_100011218427_100000032252 [0,2,0,0,0,0|1,0,0]=3 3416 B11R1.75 CN(C)CCC1COS(=O)O1 269982a_100102631434_100009840081 [0,2,0,0,0,0|2,0,0]=4 3417 B11R1.75 C[C@@H](Cl)COC1COC(=O)O1 34a_100016084084_100000032252 [0,2,0,0,0,0|1,0,0]=3 3418 B11R1.75 C[C@@H](N)COC1COC(=O)O1 34a_100000737577_100000032252 [0,2,0,0,0,0|1,0,0]=3 3419 B11R1.75 C[C@@H](O)CNC1CNC(=O)C1 2230a_100000697751_100009817552 [0,2,0,0,0,0|2,0,0]=4 3420 B11R1.75 C[C@@H](O)COC1CCC(=O)C1 34a_100012614533_100009817552 [0,2,0,0,0,0|1,0,0]=3 3421 B11R1.75 C[C@@H](O)COC1CNC(=O)C1 34a_100000690082_100009817552 [0,2,0,0,0,0|2,0,0]=4 3422 B11R1.75 C[C@@H](O)CSC1COC(=O)O1 62a_100009817552_100000032252 [0,2,0,0,0,0|1,0,0]=3 3423 B11R1.75 O=C1CCC(C1)OCC(F)F 34a_100012614533_100011934356 [0,2,0,0,0,0|2,0,0]=4 3424 B11R1.75 O=C1OCC(O1)NCC(F)F 34a_100000765723_100000032252 [0,2,0,0,0,0|2,0,0]=4 3425 B11R1.75 O=C1OCC(O1)OCC(F)F 34a_100000743014_100000032252 [0,2,0,0,0,0|2,0,0]=4 3426 B11R1.75 O=C1OCC(O1)SCC(F)F 62a_100011934356_100000032252 [0,2,0,0,0,0|2,0,0]=4 3427 B11R1.213 CCCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210303 [0,2,0,0,0,0|2,0,0]=4 3428 B11R1.213 CCCNC1CCS(=O)(=O)C1 34a_100000683523_100000210303 [0,2,0,0,0,0|2,0,0]=4 3429 B11R1.213 CCCOC1CCS(=O)(=O)C1 34a_100000186101_100000210303 [0,2,0,0,0,0|2,0,0]=4 3430 B11R1.213 CCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210303 [0,2,0,0,0,0|2,0,0]=4 3431 B11R1.213 CCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210202 [0,2,0,0,0,0|2,0,0]=4 3432 B11R1.213 CCNCC1CCS(=O)(=O)C1 34a_100000737051_100000210202 [0,2,0,0,0,0|2,0,0]=4 3433 B11R1.231 CCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210303 [0,2,0,0,0,0|2,0,0]=4 3434 B11R1.231 CCCNC1CC(=O)N(C1)C 34a_100000748898_100000210303 [0,2,0,0,0,0|2,0,0]=4 3435 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_100000210303_200009893386 [0,2,0,0,0,0|0,0,2]=4 3436 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210303 [0,2,0,0,0,0|0,0,2]=4 3437 B11R1.231 CCOCC1CC(=O)N(C1)C 34a_100015185614_100000210202 [0,2,0,0,0,0|2,0,0]=4 3438 B11R1.76 CC(C)(C)OC1CCC(=O)C1 34a_100012614533_100000210625 [0,2,0,0,0,0|2,0,0]=4 3439 B11R1.76 CC(C)(C)OC1COC(=O)O1 34a_100015890283_100000032252 [0,2,0,0,0,0|2,0,0]=4 3440 B11R1.76 CC(C)(C)SC1COC(=O)O1 62a_100000211941_100000032252 [0,2,0,0,0,0|2,0,0]=4 3441 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,0,1,1,0,0|2,0,0]=4 3442 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,0,1,1,0,0|2,0,0]=4 3443 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,0,1,1,0,0|2,0,0]=4 3444 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,0,1,1,0,0|2,0,0]=4 3445 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,0,1,1,0,0|2,0,0]=4 3446 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,1,1,0,0|2,0,0]=4 3447 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,1,1,0,0|2,0,0]=4 3448 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,1,1,0,0|2,0,0]=4 3449 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,1,1,0,0|2,0,0]=4 3450 B9R1.100 CC(NCC=O)C1CC1 2230a_100000700016_200015260668 [0,0,1,1,0,0|2,0,0]=4 3451 B9R1.100 CC(NCC=O)C1CC1 34a_100000700016_200009817547 [0,0,1,1,0,0|2,0,0]=4 3452 B9R1.100 CC(OCC=O)C1CC1 34a_100000744524_200009817547 [0,0,1,1,0,0|2,0,0]=4 3453 B9R1.100 CC(OCC=O)C1CC1 7a_100000744524_200015260668 [0,0,1,1,0,0|2,0,0]=4 3454 B9R1.117 CC1(CCC1)NCC=O 2230a_100000692455_200015260668 [0,0,1,1,0,0|2,0,0]=4 3455 B9R1.117 CC1(CCC1)NCC=O 34a_100000692455_200009817547 [0,0,1,1,0,0|2,0,0]=4 3456 B9R1.117 CC1(CCC1)OCC=O 34a_100000759064_200009817547 [0,0,1,1,0,0|2,0,0]=4 3457 B9R1.117 CC1(CCC1)OCC=O 7a_100000759064_200015260668 [0,0,1,1,0,0|2,0,0]=4 3458 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,1,1,0,0|1,0,0]=3 3459 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,1,1,0,0|1,0,0]=3 3460 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,1,1,0,0|1,0,0]=3 3461 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,1,1,0,0|1,0,0]=3 3462 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,1,1,0,0|1,0,0]=3 3463 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,1,1,0,0|1,0,0]=3 3464 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,0,1,1,0,0|2,0,0]=4 3465 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,0,1,1,0,0|2,0,0]=4 3466 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,0,1,1,0,0|2,0,0]=4 3467 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,0,1,1,0,0|2,0,0]=4 3468 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,1,1,0,0|2,0,0]=4 3469 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,1,1,0,0|1,0,0]=3 3470 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,1,1,0,0|2,0,0]=4 3471 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,0,1,1,0,0|1,0,1]=4 3472 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,0,1,1,0,0|1,0,1]=4 3473 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,0,1,1,0,0|1,0,0]=3 3474 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,0,1,1,0,0|1,0,0]=3 3475 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,0,1,1,0,0|1,0,0]=3 3476 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,0,1,1,0,0|1,0,0]=3 3477 B9R1.137 CC(C)OC(C)C1CC1 34a_100000744524_100000210206 [0,0,1,1,0,0|1,0,1]=4 3478 B9R1.137 CC(C)OC(C)C1CC1 7a_100000744524_100000210206 [0,0,1,1,0,0|1,0,1]=4 3479 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,1,1,0,0|1,0,0]=3 3480 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [0,0,1,1,0,0|2,0,0]=4 3481 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,0,1,1,0,0|1,0,0]=3 3482 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,0,1,1,0,0|1,0,0]=3 3483 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,0,1,1,0,0|1,0,0]=3 3484 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,0,1,1,0,0|1,0,0]=3 3485 B9R1.171 CC(=O)NC1(COC1)C 11a_100000732644_100015343762 [0,0,1,1,0,0|2,0,0]=4 3486 B9R1.171 CC(=O)NC1(COC1)C 1626a_100000732644_100015343762 [0,0,1,1,0,0|2,0,0]=4 3487 B9R1.171 CC(=O)NC1(COC1)C 527a_100000732644_100103153847 [0,0,1,1,0,0|2,0,0]=4 3488 B9R1.171 CC(C)OC1(CCC1)C 34a_100000759064_100000210206 [0,0,1,1,0,0|1,0,1]=4 3489 B9R1.171 CC(C)OC1(CCC1)C 7a_100000759064_100000210206 [0,0,1,1,0,0|1,0,1]=4 3490 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,0,1,1,0,0|2,0,0]=4 3491 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,0,1,1,0,0|2,0,0]=4 3492 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,1,1,0,0|2,0,0]=4 3493 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,1,1,0,0|2,0,0]=4 3494 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,1,1,0,0|2,0,0]=4 3495 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,0,1,1,0,0|2,0,0]=4 3496 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,0,1,1,0,0|2,0,0]=4 3497 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,1,1,0,0|2,0,0]=4 3498 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,1,1,0,0|2,0,0]=4 3499 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,1,1,0,0|2,0,0]=4 3500 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,0,1,1,0,0|2,0,0]=4 3501 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,0,1,1,0,0|2,0,0]=4 3502 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,0,1,1,0,0|2,0,0]=4 3503 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,0,1,1,0,0|2,0,0]=4 3504 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,0,1,1,0,0|2,0,0]=4 3505 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,0,1,1,0,0|2,0,0]=4 3506 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,0,1,1,0,0|1,0,1]=4 3507 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,0,1,1,0,0|1,0,1]=4 3508 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,0,1,1,0,0|2,0,0]=4 3509 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,0,1,1,0,0|2,0,0]=4 3510 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,0,1,1,0,0|2,0,0]=4 3511 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,0,1,1,0,0|2,0,0]=4 3512 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,0,1,1,0,0|2,0,0]=4 3513 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,0,1,1,0,0|2,0,0]=4 3514 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,0,1,1,0,0|1,0,1]=4 3515 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,1,1,0,0|1,0,0]=3 3516 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,1,1,0,0|1,0,0]=3 3517 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,1,1,0,0|2,0,0]=4 3518 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,0,1,1,0,0|2,0,0]=4 3519 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,0,1,1,0,0|2,0,0]=4 3520 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,1,1,0,0|2,0,0]=4 3521 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,1,1,0,0|1,0,0]=3 3522 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,1,1,0,0|1,0,0]=3 3523 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,1,1,0,0|1,0,0]=3 3524 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,1,1,0,0|1,0,0]=3 3525 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,0,1,1,0,0|2,0,0]=4 3526 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,0,1,1,0,0|2,0,0]=4 3527 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,0,1,1,0,0|2,0,0]=4 3528 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,0,1,1,0,0|2,0,0]=4 3529 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,0,1,1,0,0|2,0,0]=4 3530 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,0,1,1,0,0|2,0,0]=4 3531 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,0,1,1,0,0|2,0,0]=4 3532 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,0,1,1,0,0|2,0,0]=4 3533 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,0,1,1,0,0|1,0,1]=4 3534 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,1,1,0,0|2,0,0]=4 3535 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,1,1,0,0|2,0,0]=4 3536 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,1,1,0,0|2,0,0]=4 3537 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,1,1,0,0|2,0,0]=4 3538 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,0,1,1,0,0|2,0,0]=4 3539 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,0,1,1,0,0|2,0,0]=4 3540 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,0,1,1,0,0|2,0,0]=4 3541 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,0,1,1,0,0|2,0,0]=4 3542 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,0,1,1,0,0|2,0,0]=4 3543 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,0,1,1,0,0|2,0,0]=4 3544 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,1,1,0,0|2,0,0]=4 3545 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,0,1,1,0,0|2,0,0]=4 3546 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,0,1,1,0,0|2,0,0]=4 3547 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,0,1,1,0,0|1,0,1]=4 3548 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,1,1,0,0|1,0,0]=3 3549 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,1,1,0,0|1,0,0]=3 3550 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,1,1,0,0|2,0,0]=4 3551 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,1,1,0,0|2,0,0]=4 3552 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,1,1,0,0|2,0,0]=4 3553 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,1,1,0,0|1,0,0]=3 3554 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,1,1,0,0|1,0,0]=3 3555 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,1,1,0,0|1,0,0]=3 3556 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,1,1,0,0|1,0,0]=3 3557 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,0,1,1,0,0|2,0,0]=4 3558 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,0,1,1,0,0|1,0,1]=4 3559 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,0,1,1,0,0|1,0,1]=4 3560 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,1,1,0,0|2,0,0]=4 3561 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,1,1,0,0|2,0,0]=4 3562 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,1,1,0,0|2,0,0]=4 3563 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,1,1,0,0|2,0,0]=4 3564 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,0,1,1,0,0|2,0,0]=4 3565 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,0,1,1,0,0|2,0,0]=4 3566 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,0,1,1,0,0|2,0,0]=4 3567 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,0,1,1,0,0|2,0,0]=4 3568 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,0,1,1,0,0|2,0,0]=4 3569 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,0,1,1,0,0|2,0,0]=4 3570 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,0,1,1,0,0|2,0,0]=4 3571 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,0,1,1,0,0|2,0,0]=4 3572 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,0,1,1,0,0|2,0,0]=4 3573 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,0,1,1,0,0|2,0,0]=4 3574 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,1,1,0,0|1,0,0]=3 3575 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,0,1,1,0,0|2,0,0]=4 3576 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,0,1,1,0,0|2,0,0]=4 3577 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,0,1,1,0,0|2,0,0]=4 3578 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,0,1,1,0,0|2,0,0]=4 3579 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,0,1,1,0,0|2,0,0]=4 3580 B9R1.99 CCCCOC1(CC1)C 7a_100011725673_100000210211 [0,0,1,1,0,0|1,0,1]=4 3581 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,1,1,0,0|1,0,0]=3 3582 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,1,1,0,0|1,0,0]=3 3583 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,1,1,0,0|2,0,0]=4 3584 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,1,1,0,0|2,0,0]=4 3585 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,1,1,0,0|2,0,0]=4 3586 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,1,1,0,0|2,0,0]=4 3587 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,1,1,0,0|2,0,0]=4 3588 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,1,1,0,0|2,0,0]=4 3589 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,1,1,0,0|1,0,0]=3 3590 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,1,1,0,0|2,0,0]=4 3591 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,1,1,0,0|2,0,0]=4 3592 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,1,1,0,0|2,0,0]=4 3593 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,1,1,0,0|2,0,0]=4 3594 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,1,1,0,0|2,0,0]=4 3595 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,1,1,0,0|2,0,0]=4 3596 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,1,1,0,0|2,0,0]=4 3597 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,1,1,0,0|2,0,0]=4 3598 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,1,1,0,0|2,0,0]=4 3599 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,1,1,0,0|2,0,0]=4 3600 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,1,1,0,0|2,0,0]=4 3601 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,1,1,0,0|2,0,0]=4 3602 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,1,1,0,0|2,0,0]=4 3603 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,1,1,0,0|2,0,0]=4 3604 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,1,1,0,0|2,0,0]=4 3605 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,1,1,0,0|1,0,0]=3 3606 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,1,1,0,0|2,0,0]=4 3607 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,1,1,0,0|1,0,1]=4 3608 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,1,1,0,0|1,0,1]=4 3609 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,1,1,0,0|1,0,1]=4 3610 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,1,1,0,0|2,0,0]=4 3611 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,1,1,0,0|2,0,0]=4 3612 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,1,1,0,0|2,0,0]=4 3613 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,1,1,0,0|2,0,0]=4 3614 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,1,1,0,0|2,0,0]=4 3615 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,1,1,0,0|2,0,0]=4 3616 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,1,1,0,0|2,0,0]=4 3617 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,1,1,0,0|2,0,0]=4 3618 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,1,1,0,0|2,0,0]=4 3619 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,1,1,0,0|2,0,0]=4 3620 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,1,1,0,0|2,0,0]=4 3621 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,1,1,0,0|2,0,0]=4 3622 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,1,1,0,0|2,0,0]=4 3623 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,1,1,0,0|2,0,0]=4 3624 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,1,1,0,0|2,0,0]=4 3625 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,1,1,0,0|2,0,0]=4 3626 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,1,1,0,0|2,0,0]=4 3627 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,1,1,0,0|1,0,0]=3 3628 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,1,1,0,0|2,0,0]=4 3629 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,1,1,0,0|2,0,0]=4 3630 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,1,1,0,0|2,0,0]=4 3631 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,1,1,0,0|2,0,0]=4 3632 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,1,1,0,0|1,0,1]=4 3633 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,1,1,0,0|1,0,1]=4 3634 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,1,1,0,0|1,0,1]=4 3635 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,1,1,0,0|1,0,1]=4 3636 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,1,1,0,0|2,0,0]=4 3637 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,1,1,0,0|1,0,0]=3 3638 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,0,1,1,0,0|2,0,0]=4 3639 B9R1.43 CCC(OCF)C1CC1 34a_100011351122_100015361967 [0,0,1,1,0,0|1,0,1]=4 3640 B9R1.43 CCC(OCF)C1CC1 7a_100011351122_100015361967 [0,0,1,1,0,0|1,0,1]=4 3641 B9R1.43 CCN(CC=O)C1CC1 2230a_100000738653_200015260668 [0,0,1,1,0,0|2,0,0]=4 3642 B9R1.43 CCN(CC=O)C1CC1 269982a_100000738653_200015260668 [0,0,1,1,0,0|2,0,0]=4 3643 B9R1.43 CCOC(CC)C1CC1 34a_100011351122_100000210202 [0,0,1,1,0,0|1,0,1]=4 3644 B9R1.43 CCOC(CC)C1CC1 7a_100011351122_100000210202 [0,0,1,1,0,0|1,0,1]=4 3645 B11R2.16 CCN1CC2CCC(C1)O2 2230a_100015188616_100000210202 [0,1,0,1,0,0|1,0,1]=4 3646 B11R2.16 CCN1CC2CCC(C1)O2 269982a_100015188616_100000204670 [0,1,0,1,0,0|1,0,1]=4 3647 B11R2.16 CCN1CC2CCC(C1)O2 34a_100015188616_100000210202 [0,1,0,1,0,0|1,0,1]=4 3648 B11R2.16 CNC1CC2CCC(C1)O2 270004a_106832991635_100010474450 [0,1,0,1,0,0|1,0,1]=4 3649 B11R2.351 O=C1CC(CN1)OC2CC2 34a_100000690082_100000211595 [0,1,0,1,0,0|2,0,0]=4 3650 B11R2.351 O=C1CCC(C1)OC2CC2 34a_100012614533_100000211595 [0,1,0,1,0,0|1,0,0]=3 3651 B11R2.351 O=C1OCC(O1)NC2CC2 34a_100000212008_100000032252 [0,1,0,1,0,0|1,0,0]=3 3652 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,1,0,1,0|2,0,0]=4 3653 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,0,1,0,1,0|0,0,2]=4 3654 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,0,1,0,1,0|0,0,2]=4 3655 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,0,1,0,1,0|1,0,1]=4 3656 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,1,0,1,0|1,0,0]=3 3657 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,1,0,1,0|1,0,0]=3 3658 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,1,0,1,0|1,0,0]=3 3659 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,1,0,1,0|2,0,0]=4 3660 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,1,0,1,0|2,0,0]=4 3661 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,1,0,1,0|2,0,0]=4 3662 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,0,1,0,1,0|2,0,0]=4 3663 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,0,1,0,1,0|2,0,0]=4 3664 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,1,0,1,0|2,0,0]=4 3665 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,1,0,1,0|0,0,2]=4 3666 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,1,0,1,0|0,0,2]=4 3667 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,1,0,1,0|0,0,0]=2 3668 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,1,0,1,0|0,0,0]=2 3669 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,1,0,1,0|0,0,0]=2 3670 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,0,1,0,1,0|2,0,0]=4 3671 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,0,1,0,1,0|2,0,0]=4 3672 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,0,1,0,1,0|2,0,0]=4 3673 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,1,0,1,0|1,0,0]=3 3674 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,1,0,1,0|1,0,0]=3 3675 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,1,0,1,0|1,0,0]=3 3676 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,1,0,1,0|1,0,0]=3 3677 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,1,0,1,0|1,0,0]=3 3678 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,1,0,1,0|1,0,0]=3 3679 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,1,0,1,0|1,0,0]=3 3680 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,1,0,1,0|2,0,0]=4 3681 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,1,0,1,0|2,0,0]=4 3682 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,1,0,1,0|2,0,0]=4 3683 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,1,0,1,0|2,0,0]=4 3684 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,1,0,1,0|1,0,0]=3 3685 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,1,0,1,0|1,0,0]=3 3686 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,1,0,1,0|2,0,0]=4 3687 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,1,0,1,0|1,0,0]=3 3688 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,1,0,1,0|2,0,0]=4 3689 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,1,0,1,0|2,0,0]=4 3690 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,1,0,1,0|2,0,0]=4 3691 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,1,0,1,0|1,0,0]=3 3692 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,1,0,1,0|1,0,0]=3 3693 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,1,0,1,0|1,0,0]=3 3694 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,1,0,1,0|2,0,0]=4 3695 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,1,0,1,0|2,0,0]=4 3696 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,1,0,1,0|1,0,0]=3 3697 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,1,0,1,0|2,0,0]=4 3698 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,1,0,1,0|1,0,0]=3 3699 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,1,0,1,0|1,0,0]=3 3700 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,1,0,1,0|1,0,0]=3 3701 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,1,0,1,0|1,0,0]=3 3702 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,1,0,1,0|1,0,0]=3 3703 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,1,0,1,0|1,0,0]=3 3704 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,1,0,1,0|1,0,0]=3 3705 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,0,1,0|1,0,0]=3 3706 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,0,1,0|1,0,0]=3 3707 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,0,1,0|1,0,0]=3 3708 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,0,1,0|1,0,0]=3 3709 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,0,1,0|1,0,0]=3 3710 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,0,1,0|1,0,0]=3 3711 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,0,1,0|1,0,0]=3 3712 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [1,0,0,0,1,0|2,0,0]=4 3713 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [1,0,0,0,1,0|2,0,0]=4 3714 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,0,1,0|1,0,1]=4 3715 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [1,0,0,0,1,0|1,0,1]=4 3716 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [1,0,0,0,1,0|1,0,1]=4 3717 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [1,0,0,0,1,0|1,0,1]=4 3718 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,0,1,0|1,0,1]=4 3719 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,0,1,0|1,0,1]=4 3720 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,0,1,0|1,0,1]=4 3721 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [1,0,0,0,1,0|1,0,1]=4 3722 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [1,0,0,0,1,0|1,0,1]=4 3723 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [1,0,0,0,1,0|1,0,1]=4 3724 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [1,0,0,0,1,0|1,0,1]=4 3725 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [1,0,0,0,1,0|1,0,1]=4 3726 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [1,0,0,0,1,0|1,0,1]=4 3727 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [1,0,0,0,1,0|1,0,0]=3 3728 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [1,0,0,0,1,0|1,0,0]=3 3729 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [1,0,0,0,1,0|1,0,0]=3 3730 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [1,0,0,0,1,0|1,0,0]=3 3731 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [1,0,0,0,1,0|1,0,0]=3 3732 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [1,0,0,0,1,0|1,0,1]=4 3733 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [1,0,0,0,1,0|1,0,1]=4 3734 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [1,0,0,0,1,0|1,0,0]=3 3735 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [1,0,0,0,1,0|1,0,0]=3 3736 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,0,1,0|1,0,1]=4 3737 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,0,1,0|1,0,1]=4 3738 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,0,1,0|1,0,0]=3 3739 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,0,1,0|1,0,0]=3 3740 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [1,0,0,0,1,0|1,0,1]=4 3741 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [1,0,0,0,1,0|1,0,1]=4 3742 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [1,0,0,0,1,0|1,0,0]=3 3743 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [1,0,0,0,1,0|1,0,0]=3 3744 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [1,0,0,0,1,0|1,0,1]=4 3745 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [1,0,0,0,1,0|1,0,0]=3 3746 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,0,1,0|1,0,1]=4 3747 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,0,1,0|1,0,1]=4 3748 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,0,1,0|1,0,0]=3 3749 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,0,1,0|1,0,0]=3 3750 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,0,0,0,2|2,0,0]=4 3751 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,0,0,0,2|2,0,0]=4 3752 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,0,0,2|2,0,0]=4