0 B9R1.8 C=CCN1CCCOC1 2230a_100000131196_100000210623 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 C=CCN1CCCOC1 269982a_100000131196_100000210623 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.8 C=CCN1CCCOC1 34a_100000131196_100015514636 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 C=CCN1CCOCC1 2230a_100015191051_100000210623 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 C=CCN1CCOCC1 269982a_100015191051_100000210623 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 C=CCN1CCOCC1 34a_100015191051_100015514636 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.8 C=CCN1CCSCC1 2230a_100000737611_100000210623 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 C=CCN1CCSCC1 269982a_100000737611_100000210623 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,0,0,0,0,0|1,0,3]=4 23 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,0,0,0,0,0|1,0,3]=4 24 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,0,0,0,0,0|1,0,1]=2 25 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,0,0,0,0,0|1,0,1]=2 26 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,0,0,0,0,0|1,0,1]=2 27 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,0,0,0,0,0|1,1,1]=3 36 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,0,0,0,0,0|1,1,1]=3 37 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,0,0,0,0,0|2,1,1]=4 38 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,0,0,0,0,0|2,1,1]=4 39 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,0,0,0,0,0|2,1,1]=4 40 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,0,0,0,0,0|2,0,1]=3 90 B9R1.8 FCNC1CCCOC1 34a_100000719290_100015361967 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.8 FCNC1CCOCC1 34a_100000741149_100015361967 [0,0,0,0,0,0|3,0,1]=4 92 B9R1.8 FCNC1CCSCC1 34a_100000748639_100015361967 [0,0,0,0,0,0|3,0,1]=4 93 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [0,0,0,0,0,0|1,0,3]=4 94 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [0,0,0,0,0,0|1,0,3]=4 95 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,0,0,0,0,0|1,0,1]=2 96 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,0,0,0,0,0|1,0,1]=2 97 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,0,0,0,0,0|2,0,1]=3 98 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [0,0,0,0,0,0|2,0,1]=3 99 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,0,0,0,0,0|2,0,1]=3 100 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,0,0,0,0,0|2,0,1]=3 101 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,0,0,0,0,0|2,0,1]=3 102 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,0,0,0,0,0|2,0,1]=3 103 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,0,0,0,0,0|1,1,1]=3 104 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,0,0,0,0,0|1,1,1]=3 105 B9R1.8 FCSC1CCCOC1 62a_100015361967_100000693364 [0,0,0,0,0,0|2,1,1]=4 106 B9R1.8 FCSC1CCOCC1 62a_100015361967_100011324220 [0,0,0,0,0,0|2,1,1]=4 107 B9R1.8 FCSC1CCSCC1 62a_100015361967_100000069128 [0,0,0,0,0,0|2,1,1]=4 108 B9R1.8 O=CCN1CC=CCC1 2230a_100000698166_200015260668 [0,0,0,0,0,0|2,0,2]=4 109 B9R1.8 O=CCN1CC=CCC1 269982a_100000698166_200015260668 [0,0,0,0,0,0|2,0,2]=4 110 B9R1.8 O=CCN1CC=CCC1 34a_100000698166_200009817547 [0,0,0,0,0,0|2,0,2]=4 111 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [0,0,0,0,0,0|3,0,0]=3 112 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [0,0,0,0,0,0|3,0,0]=3 115 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [0,0,0,0,0,0|3,0,0]=3 116 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [0,0,0,0,0,0|3,0,0]=3 117 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [0,0,0,0,0,0|3,0,0]=3 118 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,0,0,0,0,0|3,0,0]=3 120 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,0,0,0,0,0|3,0,0]=3 121 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,0,0,0,0,0|4,0,0]=4 124 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,0,0,0,0,0|4,0,0]=4 127 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [0,0,0,0,0,0|4,0,0]=4 128 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,0,0,0,0,0|3,0,0]=3 130 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,0,0,0,0,0|4,0,0]=4 135 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,0,0,0,0,0|4,0,0]=4 137 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,0,0,0,0,0|4,0,0]=4 138 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,0,0,0,0,0|4,0,0]=4 139 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,0,0,0,0,0|4,0,0]=4 140 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,0,0,0,0,0|3,0,0]=3 141 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,0,0,0,0,0|3,0,0]=3 142 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,0,0,0,0|4,0,0]=4 144 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,0,0,0,0,0|4,0,0]=4 145 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,0,0,0,0,0|4,0,0]=4 146 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,0,0,0,0,0|4,0,0]=4 147 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,0,0,0,0,0|4,0,0]=4 148 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,0,0,0|1,0,1]=3 149 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,0,0,0|1,0,1]=3 150 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,0,0,0|1,0,1]=3 151 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,0,0,0|1,0,1]=3 152 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,0,0,0|1,0,1]=3 153 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,0,0,0|2,0,1]=4 155 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,0,0,0|2,0,1]=4 156 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,0,0,0|2,0,1]=4 158 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,0,0,0|2,0,1]=4 159 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,0,0,0,0,0|2,0,1]=4 160 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,0,0,0|2,0,1]=4 162 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,0,0,0|2,0,1]=4 163 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,0,0,0|2,0,1]=4 164 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,0,0,0,0,0|2,0,1]=4 165 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,0,0,0,0,0|2,0,1]=4 166 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,0,0,0,0,0|2,0,1]=4 167 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,0,0,0,0,0|2,0,1]=4 168 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,0,0,0,0,0|2,0,1]=4 169 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,0,0,0|0,0,3]=4 170 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,0,0,0|0,0,3]=4 171 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,0,0,0|0,0,1]=2 172 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,0,0,0|0,0,1]=2 173 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,0,0,0|0,0,1]=2 174 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,0,0,0|1,0,1]=3 175 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,0,0,0|1,0,1]=3 176 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,0,0,0|1,0,1]=3 177 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,0,0,0|1,0,1]=3 178 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,0,0,0|1,0,1]=3 179 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,0,0,0|1,0,1]=3 180 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,0,0,0|1,0,1]=3 181 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,0,0,0|1,0,1]=3 182 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,0,0,0|0,1,1]=3 183 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,0,0,0|0,1,1]=3 184 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,0,0,0|1,1,1]=4 185 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,0,0,0|1,1,1]=4 186 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,0,0,0|1,1,1]=4 187 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,0,0,0|1,0,1]=3 188 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,0,0,0|1,0,1]=3 189 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,0,0,0|2,0,1]=4 190 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,0,0,0|2,0,1]=4 191 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,0,0,0|2,0,1]=4 192 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,0,0,0|2,0,1]=4 193 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,0,0,0,0,0|2,0,1]=4 194 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,0,0,0,0,0|2,0,1]=4 195 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,0,0,0|0,0,3]=4 196 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,0,0,0|0,0,3]=4 197 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,0,0,0|0,0,1]=2 198 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,0,0,0|0,0,1]=2 199 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,0,0,0|1,0,1]=3 200 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,0,0,0|1,0,1]=3 201 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,0,0,0|1,0,1]=3 202 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,0,0,0|1,0,1]=3 203 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,0,0,0|1,0,1]=3 204 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,0,0,0|1,0,1]=3 205 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,0,0,0|0,1,1]=3 206 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,0,0,0|0,1,1]=3 207 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,0,0,0|1,1,1]=4 208 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,0,0,0|1,1,1]=4 209 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,0,0,0|1,1,1]=4 210 B10R1.1 C=C1CCN(CC1)CC=O 2230a_100000752442_200015260668 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.1 C=C1CCN(CC1)CC=O 269982a_100000752442_200015260668 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.1 C=C1CCN(CC1)CC=O 34a_100000752442_200009817547 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.1 C=CCN1CCC(CC1)C 2230a_100000188429_100000210623 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.1 C=CCN1CCC(CC1)C 269982a_100000188429_100000210623 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.1 C=CCN1CCC(CC1)C 34a_100000188429_100015514636 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.1 C=CCN1CCC(CC1)F 2230a_100015193889_100000210623 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.1 C=CCN1CCC(CC1)F 269982a_100015193889_100000210623 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.1 C=CCN1CCC(CC1)F 34a_100015193889_100015514636 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.1 C=CCN1CCC(CC1)O 2230a_100025773856_100000210623 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.1 C=CCN1CCC(CC1)O 269982a_100025773856_100000210623 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,1,0,0,0,0|1,0,1]=3 225 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,1,0,0,0,0|1,0,1]=3 226 B10R1.1 CC1CCC(CC1)SCF 62a_100015361967_200011216234 [0,1,0,0,0,0|1,1,1]=4 227 B10R1.1 CC1CCN(CC1)CC=O 2230a_100000188429_200015260668 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.1 CC1CCN(CC1)CC=O 269982a_100000188429_200015260668 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.1 CC1CCN(CC1)CC=O 34a_100000188429_200009817547 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,0,0,0|1,0,2]=4 235 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,0,0,0|1,0,2]=4 236 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,1,0,0,0,0|1,0,1]=3 237 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.1 CCOC1CCN(CC1)C 2230a_100016990603_200000210301 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.1 CCOC1CCN(CC1)C 269982a_100016990603_200000210301 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.1 CCOC1CCN(CC1)C 34a_100016990603_200000210301 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.1 CCOC1CCN(CC1)[13CH3] 2230a_100016990603_200025704644 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.1 CCOC1CCN(CC1)[13CH3] 269982a_100016990603_200025704644 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.1 CCOC1CCN(CC1)[13CH3] 34a_100016990603_200025704644 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,1,0,0,0,0|1,0,1]=3 246 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,1,0,0,0,0|1,1,1]=4 247 B10R1.1 CN1CCN(CC1)CC=O 2230a_100000188432_200015260668 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.1 CN1CCN(CC1)CC=O 269982a_100000188432_200015260668 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.1 C[C@H]1CC[C@@H](CC1)NCF 34a_100020625639_100015361967 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.1 N[C@H]1CC[C@H](CC1)OCF 34a_100020628982_100015361967 [0,1,0,0,0,0|1,0,1]=3 255 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,1,0,0,0,0|1,0,2]=4 256 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,1,0,0,0,0|1,0,2]=4 257 B10R1.1 O=CCN1CCC(CC1)F 2230a_100015193889_200015260668 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.1 O=CCN1CCC(CC1)F 269982a_100015193889_200015260668 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.1 O=CCN1CCC(CC1)F 34a_100015193889_200009817547 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.1 O=CCN1CCC(CC1)O 2230a_100025773856_200015260668 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.1 O=CCN1CCC(CC1)O 269982a_100025773856_200015260668 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.1 O=CCN1CCS(=O)CC1 2230a_100000752083_200015260668 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.1 O=CCN1CCS(=O)CC1 269982a_100000752083_200015260668 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,1,0,0,0,0|1,0,1]=3 270 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,1,0,0,0,0|1,0,1]=3 271 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.4 CC1CCNCC1OCF 34a_100000696640_100015361967 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.4 CC1CNCCC1OCF 34a_100011998114_100015361967 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,1,0,0,0,0|2,0,1]=4 280 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,0,0,0|1,0,2]=4 283 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,0,0,0|1,0,2]=4 284 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,1,0,0,0,0|1,0,1]=3 285 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,1,0,0,0,0|1,0,1]=3 286 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,1,0,0,0,0|1,0,1]=3 287 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,1,0,0,0,0|1,0,1]=3 288 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,1,0,0,0,0|1,0,1]=3 289 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,1,0,0,0,0|1,0,1]=3 290 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,1,0,0,0,0|1,0,1]=3 293 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,1,0,0,0,0|1,0,1]=3 294 B10R1.4 CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000210202 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,1,0,0,0,0|1,0,1]=3 296 B10R1.4 CCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210202 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.4 CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210202 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [0,1,0,0,0,0|1,1,1]=4 299 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [0,1,0,0,0,0|1,1,1]=4 300 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,1,0,0,0,0|1,1,1]=4 301 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,1,0,0,0,0|1,1,1]=4 302 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.4 FCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015361967 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.4 FCOC1CCCCC1Cl 34a_100000038908_100015361967 [0,1,0,0,0,0|1,0,1]=3 308 B10R1.4 FCOC1CCCCC1Cl 7a_100000038908_100015361967 [0,1,0,0,0,0|1,0,1]=3 309 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015361967 [0,1,0,0,0,0|1,0,1]=3 310 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015361967 [0,1,0,0,0,0|1,0,1]=3 311 B10R1.4 FCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100015361967 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.4 FCSC1CCCCC1F 62a_100015361967_100015423560 [0,1,0,0,0,0|1,1,1]=4 313 B10R1.4 FCSC1CCCCC1F 62a_100015423560_100015361967 [0,1,0,0,0,0|1,1,1]=4 314 B10R1.4 N[C@@H]1CCCC[C@@H]1OCF 34a_100015191688_100015361967 [0,1,0,0,0,0|1,0,1]=3 315 B10R1.4 N[C@@H]1CCOC[C@@H]1OCF 34a_100016994285_100015361967 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.4 N[C@H]1COCC[C@@H]1OCF 34a_100015739063_100015361967 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,1,0,0,0,0|1,0,2]=4 318 B10R1.4 OC1CCCCC1SCF 62a_100000038908_100015361967 [0,1,0,0,0,0|1,1,1]=4 319 B10R1.4 OC1CCCCC1SCF 62a_100015361967_100000038908 [0,1,0,0,0,0|1,1,1]=4 320 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.10 C=CCN1CCCC(C1)F 2230a_100000697950_100000210623 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.10 C=CCN1CCCC(C1)F 269982a_100000697950_100000210623 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.10 C=CCN1CCCC(C1)F 34a_100000697950_100015514636 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.10 C=CCN1CCCC(C1)O 2230a_100000211013_100000210623 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.10 C=CCN1CCCC(C1)O 269982a_100000211013_100000210623 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.10 C=CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210623 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.10 C=CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210623 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.10 C=CCN1CCC[C@@H](C1)C 34a_100000717927_100015514636 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.10 CC1CC(CCO1)OCF 34a_100011986385_100015361967 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.10 CC1CC(CCO1)OCF 7a_100011986385_100015361967 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,1,0,0,0,0|1,0,1]=3 333 B10R1.10 CC1CN(CCO1)CC=O 2230a_100000729577_200015260668 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.10 CC1CN(CCO1)CC=O 269982a_100000729577_200015260668 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.10 CC1CN(CCO1)CC=O 34a_100000729577_200009817547 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,1,0,0,0,0|2,0,1]=4 337 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,1,0,0,0,0|2,0,1]=4 340 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,0,0,0|1,0,2]=4 342 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,0,0,0|1,0,1]=3 343 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [0,1,0,0,0,0|2,0,1]=4 351 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.10 C[C@H]1CCCN(C1)CC=O 2230a_100000717927_200015260668 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.10 C[C@H]1CCCN(C1)CC=O 269982a_100000717927_200015260668 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.10 C[C@H]1CCCN(C1)CC=O 34a_100000717927_200009817547 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,0,0,0|1,0,2]=4 356 B10R1.10 O=CCN1CCCC(C1)F 2230a_100000697950_200015260668 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.10 O=CCN1CCCC(C1)F 269982a_100000697950_200015260668 [0,1,0,0,0,0|2,0,0]=3 358 B10R1.10 O=CCN1CCCC(C1)F 34a_100000697950_200009817547 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.10 O=CCN1CCCC(C1)O 2230a_100000211013_200015260668 [0,1,0,0,0,0|2,0,0]=3 360 B10R1.10 O=CCN1CCCC(C1)O 269982a_100000211013_200015260668 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.10 O=CCN1CCOC(C1)O 2230a_100000688207_200015260668 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.10 O=CCN1CCOC(C1)O 269982a_100000688207_200015260668 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,0,0,0|2,0,0]=3 366 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,1,0,0,0,0|2,0,1]=4 376 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.15 CN(CF)C1CCCCC1 269982a_100000207522_100015361967 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.15 CN(CF)C1CCCCC1 34a_100000207522_100015361967 [0,1,0,0,0,0|2,0,1]=4 384 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,0,0,0|2,0,1]=4 396 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,0|1,0,2]=4 397 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,1,0,0,0,0|1,0,1]=3 398 B10R1.17 BrCCOC1CCCOC1 34a_100000211926_100000693364 [0,1,0,0,0,0|2,0,1]=4 399 B10R1.17 BrCCOC1CCSCC1 34a_100000211926_100000069128 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.17 C#CCNC1CCCCC1 2230a_100000182618_100000038162 [0,1,0,0,0,0|2,0,1]=4 401 B10R1.17 C#CCNC1CCCCC1 34a_100000182618_100000184674 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.17 C#CCNC1CCCCC1 34a_100000212058_100000210327 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.17 C#CCOC1CCCCC1 34a_100000210231_100000184674 [0,1,0,0,0,0|1,0,1]=3 404 B10R1.17 C#CCOC1CCCCC1 34a_100000210247_100000210327 [0,1,0,0,0,0|1,0,1]=3 405 B10R1.17 C#CCOC1CCCCC1 7a_100000210231_100000038162 [0,1,0,0,0,0|1,0,1]=3 406 B10R1.17 C#CCOC1CCCCO1 34a_100000033831_100000184674 [0,1,0,0,0,0|2,0,1]=4 407 B10R1.17 C#CCOC1CCCOC1 34a_100000210247_100000693364 [0,1,0,0,0,0|2,0,1]=4 408 B10R1.17 C#CCOC1CCCOC1 34a_100000754041_100000184674 [0,1,0,0,0,0|2,0,1]=4 409 B10R1.17 C#CCOC1CCCSC1 7a_100015962668_100000038162 [0,1,0,0,0,0|2,0,1]=4 410 B10R1.17 C#CCOC1CCOCC1 34a_100000744328_100000184674 [0,1,0,0,0,0|2,0,1]=4 411 B10R1.17 C#CCOC1CCSCC1 34a_100000210247_100000069128 [0,1,0,0,0,0|2,0,1]=4 412 B10R1.17 C#CCOC1CCSCC1 34a_100000731022_100000184674 [0,1,0,0,0,0|2,0,1]=4 413 B10R1.17 C#CCOC1CCSCC1 7a_100000731022_100000038162 [0,1,0,0,0,0|2,0,1]=4 414 B10R1.17 C#CCSC1CCCCC1 62a_100000038162_100000210327 [0,1,0,0,0,0|1,1,1]=4 415 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.17 C=CCNC1CCCOC1 2230a_100000719290_100000210623 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.17 C=CCNC1CCCOC1 270004a_100020586998_100000753404 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.17 C=CCNC1CCCOC1 34a_100000719290_100015514636 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.17 C=CCNC1CCCSC1 270004a_100020586998_100000057913 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.17 C=CCNC1CCNCC1 270004a_100020586998_100015192401 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.17 C=CCNC1CCOCC1 2230a_100000741149_100000210623 [0,1,0,0,0,0|3,0,0]=4 424 B10R1.17 C=CCNC1CCOCC1 270004a_100020586998_100011217826 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.17 C=CCNC1CCOCC1 34a_100000741149_100015514636 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.17 C=CCNC1CCSCC1 2230a_100000748639_100000210623 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.17 C=CCNC1CCSCC1 270004a_100020586998_100000203788 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.17 C=CCNC1CCSCC1 34a_100000748639_100015514636 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.17 C=CCOC1C=CCCC1 34a_100011215024_100015514636 [0,1,0,0,0,0|1,0,2]=4 430 B10R1.17 C=CCOC1CC=CCC1 34a_100000073881_100015514636 [0,1,0,0,0,0|1,0,2]=4 431 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,1,0,0,0,0|1,0,0]=2 432 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,1,0,0,0,0|1,0,0]=2 433 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,1,0,0,0,0|2,0,0]=3 435 B10R1.17 C=CCOC1CCCOC1 34a_100000754041_100015514636 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.17 C=CCOC1CCCOC1 34a_200000210373_100000693364 [0,1,0,0,0,0|2,0,0]=3 437 B10R1.17 C=CCOC1CCCSC1 7a_100015962668_100015514636 [0,1,0,0,0,0|2,0,0]=3 438 B10R1.17 C=CCOC1CCOCC1 34a_100000744328_100015514636 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.17 C=CCOC1CCSCC1 34a_100000731022_100015514636 [0,1,0,0,0,0|2,0,0]=3 440 B10R1.17 C=CCOC1CCSCC1 34a_200000210373_100000069128 [0,1,0,0,0,0|2,0,0]=3 441 B10R1.17 C=CCOC1CCSCC1 7a_100000731022_100015514636 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [0,1,0,0,0,0|1,1,0]=3 443 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [0,1,0,0,0,0|1,1,0]=3 444 B10R1.17 C=CCSC1CCCOC1 62a_100000210623_100000693364 [0,1,0,0,0,0|2,1,0]=4 445 B10R1.17 C=CCSC1CCOCC1 62a_100000210623_100011324220 [0,1,0,0,0,0|2,1,0]=4 446 B10R1.17 C=CCSC1CCSCC1 62a_100000210623_100000069128 [0,1,0,0,0,0|2,1,0]=4 447 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [0,1,0,0,0,0|2,0,0]=3 448 B10R1.17 CC=NNC1CCOCC1 4a_100000687383_200000210099 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,1,0,0,0,0|2,0,1]=4 450 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,1,0,0,0,0|2,0,1]=4 452 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,1,0,0,0,0|1,0,1]=3 453 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,1,0,0,0,0|1,0,1]=3 454 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,1,0,0,0,0|1,0,1]=3 455 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,1,0,0,0,0|2,0,1]=4 456 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,1,0,0,0,0|2,0,1]=4 457 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,1,0,0,0,0|2,0,1]=4 458 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [0,1,0,0,0,0|2,0,1]=4 459 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [0,1,0,0,0,0|2,0,1]=4 460 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [0,1,0,0,0,0|2,0,1]=4 461 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,1,0,0,0,0|1,1,1]=4 464 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,1,0,0,0,0|1,1,1]=4 465 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,1,0,0,0,0|2,0,1]=4 466 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,1,0,0,0,0|2,0,1]=4 469 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,1,0,0,0,0|1,0,1]=3 470 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,1,0,0,0,0|1,0,1]=3 471 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,1,0,0,0,0|1,0,1]=3 472 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,1,0,0,0,0|2,0,1]=4 475 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [0,1,0,0,0,0|2,0,1]=4 477 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [0,1,0,0,0,0|2,0,1]=4 478 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [0,1,0,0,0,0|2,0,1]=4 481 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [0,1,0,0,0,0|2,0,1]=4 483 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,1,0,0,0,0|1,1,1]=4 485 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,1,0,0,0,0|1,1,1]=4 486 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [0,1,0,0,0,0|2,0,1]=4 488 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [0,1,0,0,0,0|2,0,1]=4 490 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [0,1,0,0,0,0|2,0,1]=4 491 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [0,1,0,0,0,0|1,0,1]=3 493 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [0,1,0,0,0,0|1,0,1]=3 494 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [0,1,0,0,0,0|1,0,1]=3 495 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,1,0,0,0,0|1,0,2]=4 496 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,1,0,0,0,0|1,0,2]=4 497 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,1,0,0,0,0|1,0,2]=4 498 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,1,0,0,0,0|1,0,2]=4 499 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,1,0,0,0,0|0,0,2]=3 500 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,1,0,0,0,0|0,1,2]=4 501 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,1,0,0,0,0|0,1,2]=4 502 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [0,1,0,0,0,0|1,1,1]=4 503 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [0,1,0,0,0,0|1,1,1]=4 504 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [0,1,0,0,0,0|1,1,1]=4 505 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [0,1,0,0,0,0|1,1,1]=4 506 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [0,1,0,0,0,0|0,1,1]=3 507 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [0,1,0,0,0,0|0,1,1]=3 508 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [0,1,0,0,0,0|0,1,1]=3 509 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [0,1,0,0,0,0|1,1,1]=4 510 B10R1.17 CSCOC1CCCOC1 34a_100000754041_100011218213 [0,1,0,0,0,0|1,1,1]=4 511 B10R1.17 CSCOC1CCOCC1 34a_100000744328_100011218213 [0,1,0,0,0,0|1,1,1]=4 512 B10R1.17 CSCOC1CCSCC1 34a_100000731022_100011218213 [0,1,0,0,0,0|1,1,1]=4 513 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [0,1,0,0,0,0|0,2,1]=4 514 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [0,1,0,0,0,0|0,2,1]=4 515 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [0,1,0,0,0,0|2,0,1]=4 517 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [0,1,0,0,0,0|2,0,1]=4 518 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,1,0,0,0,0|1,0,1]=3 519 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,1,0,0,0,0|1,0,1]=3 520 B10R1.17 FCCOC1CCCCO1 34a_100000033831_100011217306 [0,1,0,0,0,0|2,0,1]=4 521 B10R1.17 FCCOC1CCCOC1 34a_100000754041_100011217306 [0,1,0,0,0,0|2,0,1]=4 522 B10R1.17 FCCOC1CCCSC1 7a_100015962668_100011217306 [0,1,0,0,0,0|2,0,1]=4 523 B10R1.17 FCCOC1CCOCC1 34a_100000744328_100011217306 [0,1,0,0,0,0|2,0,1]=4 524 B10R1.17 FCCOC1CCSCC1 34a_100000731022_100011217306 [0,1,0,0,0,0|2,0,1]=4 525 B10R1.17 FCCOC1CCSCC1 7a_100000731022_100011217306 [0,1,0,0,0,0|2,0,1]=4 526 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [0,1,0,0,0,0|1,1,1]=4 527 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [0,1,0,0,0,0|1,1,1]=4 528 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [0,1,0,0,0,0|2,0,1]=4 529 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,1,0,0,0,0|1,0,1]=3 530 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,1,0,0,0,0|1,0,1]=3 531 B10R1.17 FCOCC1CCCCN1 34a_100000210821_100015361967 [0,1,0,0,0,0|2,0,1]=4 532 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [0,1,0,0,0,0|2,0,1]=4 533 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [0,1,0,0,0,0|2,0,1]=4 534 B10R1.17 FCOCC1CCCNC1 34a_100000211344_100015361967 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.17 FCOCC1CCCOC1 34a_100000741520_100015361967 [0,1,0,0,0,0|2,0,1]=4 536 B10R1.17 FCOCC1CCNCC1 34a_100000738675_100015361967 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.17 FCOCC1CCOCC1 34a_100000749013_100015361967 [0,1,0,0,0,0|2,0,1]=4 538 B10R1.17 FCOCC1CCSCC1 34a_100000070558_100015361967 [0,1,0,0,0,0|2,0,1]=4 539 B10R1.17 FCOCC1CCSCC1 7a_100000070558_100015361967 [0,1,0,0,0,0|2,0,1]=4 540 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [0,1,0,0,0,0|1,1,1]=4 541 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [0,1,0,0,0,0|1,1,1]=4 542 B10R1.17 N#CCNC1CCCCC1 2230a_100000182618_100011215382 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.17 N#CCOC1CCCCC1 7a_100000210231_100011215382 [0,1,0,0,0,0|1,0,1]=3 544 B10R1.17 N#CCOC1CCCSC1 7a_100015962668_100011215382 [0,1,0,0,0,0|2,0,1]=4 545 B10R1.17 N#CCOC1CCSCC1 7a_100000731022_100011215382 [0,1,0,0,0,0|2,0,1]=4 546 B10R1.17 N#CCSC1CCCCC1 62a_100000210327_100011215382 [0,1,0,0,0,0|1,1,1]=4 547 B10R1.17 N#CCSC1CCCCC1 62a_100011215382_100000210327 [0,1,0,0,0,0|1,1,1]=4 548 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,1,0,0,0,0|1,0,1]=3 549 B10R1.17 NCCOC1CCCOC1 34a_100000210304_100000693364 [0,1,0,0,0,0|2,0,1]=4 550 B10R1.17 NCCOC1CCSCC1 34a_100000210304_100000069128 [0,1,0,0,0,0|2,0,1]=4 551 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,1,0,0,0,0|1,0,0]=2 552 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,1,0,0,0,0|1,0,0]=2 553 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [0,1,0,0,0,0|2,0,0]=3 554 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [0,1,0,0,0,0|2,0,0]=3 555 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [0,1,0,0,0,0|2,0,0]=3 556 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [0,1,0,0,0,0|2,0,0]=3 557 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [0,1,0,0,0,0|2,0,0]=3 558 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [0,1,0,0,0,0|2,0,0]=3 559 B10R1.17 O=CCOC1C=CCCC1 34a_100011215024_200009817547 [0,1,0,0,0,0|0,0,2]=3 560 B10R1.17 O=CCOC1CC=CCC1 34a_100000073881_200009817547 [0,1,0,0,0,0|0,0,2]=3 561 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,1,0,0,0,0|0,0,0]=1 562 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,1,0,0,0,0|0,0,0]=1 563 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,1,0,0,0,0|1,0,0]=2 564 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [0,1,0,0,0,0|1,0,0]=2 565 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [0,1,0,0,0,0|1,0,0]=2 566 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [0,1,0,0,0,0|1,0,0]=2 567 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [0,1,0,0,0,0|1,0,0]=2 568 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [0,1,0,0,0,0|1,0,0]=2 569 B10R1.17 O=CCSC1C=CCCC1 62a_100000751183_200015260668 [0,1,0,0,0,0|0,1,2]=4 570 B10R1.17 O=CCSC1C=CCCC1 62a_200015260668_100000751183 [0,1,0,0,0,0|0,1,2]=4 571 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,1,0,0,0,0|0,1,0]=2 572 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,1,0,0,0,0|0,1,0]=2 573 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [0,1,0,0,0,0|1,1,0]=3 574 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [0,1,0,0,0,0|1,1,0]=3 575 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [0,1,0,0,0,0|1,1,0]=3 576 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,1,0,0,0,0|1,0,2]=4 577 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,1,0,0,0,0|1,0,2]=4 578 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,1,0,0,0,0|1,0,2]=4 579 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,1,0,0,0,0|1,0,2]=4 580 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,1,0,0,0,0|0,0,2]=3 581 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,1,0,0,0,0|0,0,2]=3 582 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [0,1,0,0,0,0|1,0,2]=4 583 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [0,1,0,0,0,0|1,0,2]=4 584 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [0,1,0,0,0,0|1,0,2]=4 585 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [0,1,0,0,0,0|1,0,2]=4 586 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [0,1,0,0,0,0|1,0,2]=4 587 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [0,1,0,0,0,0|1,0,2]=4 588 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,1,0,0,0,0|0,1,2]=4 589 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,1,0,0,0,0|0,1,2]=4 590 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [0,1,0,0,0,0|2,0,1]=4 591 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [0,1,0,0,0,0|2,0,1]=4 592 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,1,0,0,0,0|1,0,2]=4 593 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,1,0,0,0,0|1,0,2]=4 594 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [0,1,0,0,0,0|1,1,1]=4 595 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [0,1,0,0,0,0|1,1,1]=4 596 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [0,1,0,0,0,0|0,1,1]=3 597 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [0,1,0,0,0,0|0,1,1]=3 598 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,0,0,0|1,0,1]=3 599 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,1,0,0,0,0|2,0,1]=4 600 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,0,0,0|1,0,2]=4 601 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,0,0,0|1,0,0]=2 602 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,0,0,0|1,0,0]=2 603 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,0,0,0|2,0,0]=3 604 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,0,0,0|2,0,0]=3 605 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,0,0,0|2,0,0]=3 606 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,0,0,0|2,0,0]=3 608 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,0,0,0|2,0,0]=3 610 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,0,0,0|1,0,0]=2 612 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,0,0,0|1,0,0]=2 613 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,0,0,0|1,0,0]=2 614 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,0,0,0|1,0,0]=2 615 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,0,0,0|2,0,0]=3 616 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,0,0,0|2,0,0]=3 617 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,0,0,0|2,0,0]=3 618 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,0,0,0|2,0,0]=3 619 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,1,0,0,0,0|2,0,0]=3 620 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,1,0,0,0,0|2,0,0]=3 621 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,1,0,0,0,0|2,0,0]=3 622 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,1,0,0,0,0|2,0,0]=3 623 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,1,0,0,0,0|2,0,0]=3 624 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,1,0,0,0,0|2,0,0]=3 625 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,1,0,0,0,0|2,0,0]=3 626 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,1,0,0,0,0|2,0,0]=3 627 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [0,1,0,0,0,0|2,0,1]=4 628 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [0,1,0,0,0,0|2,0,1]=4 629 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [0,1,0,0,0,0|2,0,1]=4 630 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,1,0,0,0,0|1,0,1]=3 631 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,1,0,0,0,0|1,0,1]=3 632 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,1,0,0,0,0|1,0,1]=3 633 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [0,1,0,0,0,0|2,0,1]=4 634 B10R1.18 CC(C)OC1CCCOC1 34a_100000212225_100000693364 [0,1,0,0,0,0|2,0,1]=4 635 B10R1.18 CC(C)OC1CCCOC1 34a_100000754041_100000210206 [0,1,0,0,0,0|2,0,1]=4 636 B10R1.18 CC(C)OC1CCCSC1 7a_100015962668_100000210206 [0,1,0,0,0,0|2,0,1]=4 637 B10R1.18 CC(C)OC1CCOCC1 34a_100000744328_100000210206 [0,1,0,0,0,0|2,0,1]=4 638 B10R1.18 CC(C)OC1CCSCC1 34a_100000212225_100000069128 [0,1,0,0,0,0|2,0,1]=4 639 B10R1.18 CC(C)OC1CCSCC1 34a_100000731022_100000210206 [0,1,0,0,0,0|2,0,1]=4 640 B10R1.18 CC(C)OC1CCSCC1 7a_100000731022_100000210206 [0,1,0,0,0,0|2,0,1]=4 641 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [0,1,0,0,0,0|1,1,1]=4 642 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [0,1,0,0,0,0|1,1,1]=4 643 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,1,0,0,0,0|3,0,0]=4 645 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,1,0,0,0,0|3,0,0]=4 646 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,1,0,0,0,0|3,0,0]=4 647 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,1,0,0,0,0|3,0,0]=4 648 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,1,0,0,0,0|3,0,0]=4 649 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,1,0,0,0,0|3,0,0]=4 651 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,1,0,0,0,0|3,0,0]=4 654 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [0,1,0,0,0,0|3,0,0]=4 655 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [0,1,0,0,0,0|3,0,0]=4 656 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [0,1,0,0,0,0|3,0,0]=4 657 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [0,1,0,0,0,0|3,0,0]=4 658 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [0,1,0,0,0,0|3,0,0]=4 659 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,1,0,0,0,0|3,0,0]=4 660 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,1,0,0,0,0|3,0,0]=4 661 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [0,1,0,0,0,0|3,0,0]=4 664 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,0,0,0|1,0,1]=3 665 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,1,0,0,0,0|2,0,1]=4 666 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,0,0,0|1,0,2]=4 667 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,0,0,0|1,0,0]=2 668 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,0,0,0|2,0,0]=3 670 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,0,0,0|2,0,0]=3 671 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,0,0,0|2,0,0]=3 672 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,1,0,0,0,0|3,0,0]=4 673 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [0,1,0,0,0,0|3,0,0]=4 674 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [0,1,0,0,0,0|3,0,0]=4 676 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [0,1,0,0,0,0|3,0,0]=4 677 B10R1.377 CC1(CCCCC1)NCF 34a_100000741114_100015361967 [0,1,0,0,0,0|2,0,1]=4 678 B10R1.377 CC1(CCCCC1)OCF 34a_100011215885_100015361967 [0,1,0,0,0,0|1,0,1]=3 679 B10R1.377 CC1(CCCCC1)OCF 7a_100011215885_100015361967 [0,1,0,0,0,0|1,0,1]=3 680 B10R1.377 CC1(CCOCC1)OCF 34a_100011827762_100015361967 [0,1,0,0,0,0|2,0,1]=4 681 B10R1.377 CC1(CCOCC1)OCF 7a_100011827762_100015361967 [0,1,0,0,0,0|2,0,1]=4 682 B10R1.377 CC1(CCSCC1)OCF 34a_200011004327_100015361967 [0,1,0,0,0,0|2,0,1]=4 683 B10R1.377 CC1(CCSCC1)OCF 7a_200011004327_100015361967 [0,1,0,0,0,0|2,0,1]=4 684 B10R1.377 CCNC1(CCCCC1)C 2230a_100000741114_100000210202 [0,1,0,0,0,0|2,0,1]=4 685 B10R1.377 CCNC1(CCCCC1)C 34a_100000741114_100000210202 [0,1,0,0,0,0|2,0,1]=4 686 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [0,1,0,0,0,0|1,0,1]=3 687 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [0,1,0,0,0,0|1,0,1]=3 688 B10R1.377 CCOC1(CCOCC1)C 34a_100011827762_100000210202 [0,1,0,0,0,0|2,0,1]=4 689 B10R1.377 CCOC1(CCOCC1)C 7a_100011827762_100000210202 [0,1,0,0,0,0|2,0,1]=4 690 B10R1.377 CCOC1(CCSCC1)C 34a_200011004327_100000210202 [0,1,0,0,0,0|2,0,1]=4 691 B10R1.377 CCOC1(CCSCC1)C 7a_200011004327_100000210202 [0,1,0,0,0,0|2,0,1]=4 692 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [0,1,0,0,0,0|3,0,0]=4 693 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [0,1,0,0,0,0|3,0,0]=4 694 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [0,1,0,0,0,0|3,0,0]=4 695 B10R1.377 CNCC1(CCCCC1)O 2230a_100000748649_200000210301 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.377 CNCC1(CCCCC1)O 34a_100000748649_200000210301 [0,1,0,0,0,0|3,0,0]=4 697 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [0,1,0,0,0,0|3,0,0]=4 698 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [0,1,0,0,0,0|3,0,0]=4 699 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [0,1,0,0,0,0|3,0,0]=4 700 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [0,1,0,0,0,0|3,0,0]=4 701 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [0,1,0,0,0,0|3,0,0]=4 702 B10R1.377 [13CH3]NCC1(CCCCC1)O 2230a_100000748649_200025704644 [0,1,0,0,0,0|3,0,0]=4 703 B10R1.377 [13CH3]NCC1(CCCCC1)O 34a_100000748649_200025704644 [0,1,0,0,0,0|3,0,0]=4 704 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [0,1,0,0,0,0|3,0,0]=4 705 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [0,1,0,0,0,0|3,0,0]=4 706 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,0,1,0,0,0|3,0,0]=4 708 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,0,1,0,0,0|3,0,0]=4 709 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,0,1,0,0,0|3,0,0]=4 710 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,0,1,0,0,0|3,0,0]=4 711 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,0,1,0,0,0|3,0,0]=4 712 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,0,1,0,0,0|3,0,0]=4 713 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,0,1,0,0,0|3,0,0]=4 714 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,0,1,0,0,0|3,0,0]=4 715 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,0,1,0,0,0|3,0,0]=4 716 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,0,1,0,0,0|2,0,1]=4 717 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,0,1,0,0,0|2,0,1]=4 718 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,0,1,0,0,0|3,0,0]=4 719 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,0,1,0,0,0|3,0,0]=4 720 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,0,1,0,0,0|3,0,0]=4 721 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,0,1,0,0,0|3,0,0]=4 722 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,0,1,0,0,0|2,0,1]=4 723 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,0,1,0,0,0|2,0,1]=4 724 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,0,1,0,0,0|2,0,1]=4 725 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,0,1,0,0,0|1,0,1]=3 726 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,0,1,0,0,0|1,0,1]=3 727 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,0,1,0,0,0|1,0,1]=3 728 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,0,1,0,0,0|1,0,1]=3 729 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,0,1,0,0,0|1,0,1]=3 730 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,0,1,0,0,0|1,1,1]=4 731 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,0,1,0,0,0|1,1,1]=4 732 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,0,1,0,0,0|1,1,1]=4 733 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,0,1,0,0,0|1,1,1]=4 734 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,0,1,0,0,0|2,0,0]=3 735 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,0,1,0,0,0|2,0,0]=3 736 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,0,1,0,0,0|2,0,1]=4 737 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,0,1,0,0,0|2,0,1]=4 738 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,0,1,0,0,0|2,0,1]=4 739 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,0,1,0,0,0|2,0,1]=4 740 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,0,1,0,0,0|2,0,1]=4 741 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,0,1,0,0,0|2,0,1]=4 742 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,0,1,0,0,0|3,0,0]=4 743 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,0,1,0,0,0|3,0,0]=4 744 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,0,1,0,0,0|3,0,0]=4 745 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,0,1,0,0,0|3,0,0]=4 746 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,0,1,0,0,0|3,0,0]=4 747 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,0,1,0,0,0|3,0,0]=4 748 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,0,1,0,0,0|3,0,0]=4 749 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,0,1,0,0,0|3,0,0]=4 750 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,0,1,0,0,0|3,0,0]=4 751 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,0,1,0,0,0|3,0,0]=4 752 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,0,1,0,0,0|3,0,0]=4 753 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,0,1,0,0,0|3,0,0]=4 754 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,0,1,0,0,0|3,0,0]=4 755 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,0,1,0,0,0|3,0,0]=4 756 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,0,1,0,0,0|3,0,0]=4 757 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,0,1,0,0,0|3,0,0]=4 758 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,0,1,0,0,0|3,0,0]=4 759 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,0,1,0,0,0|3,0,0]=4 760 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,0,1,0,0,0|3,0,0]=4 761 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,0,1,0,0,0|3,0,0]=4 762 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,0,1,0,0,0|3,0,0]=4 763 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,0,1,0,0,0|3,0,0]=4 764 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,0,1,0,0,0|3,0,0]=4 765 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,0,1,0,0,0|3,0,0]=4 766 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,0,1,0,0,0|3,0,0]=4 767 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,0,1,0,0,0|3,0,0]=4 768 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,0,1,0,0,0|3,0,0]=4 769 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,0,1,0,0,0|3,0,0]=4 770 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,0,1,0,0,0|3,0,0]=4 771 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,0,1,0,0,0|3,0,0]=4 772 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,0,1,0,0,0|3,0,0]=4 773 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,0,1,0,0,0|3,0,0]=4 774 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,0,1,0,0,0|3,0,0]=4 775 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,0,1,0,0,0|3,0,0]=4 776 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,0,1,0,0,0|3,0,0]=4 777 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,0,1,0,0,0|3,0,0]=4 778 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,0,1,0,0,0|3,0,0]=4 779 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,0,1,0,0,0|3,0,0]=4 780 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,0,1,0,0,0|3,0,0]=4 781 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,0,1,0,0,0|3,0,0]=4 782 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,0,1,0,0,0|3,0,0]=4 783 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,0,1,0,0,0|3,0,0]=4 784 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,0,1,0,0,0|3,0,0]=4 785 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,0,1,0,0,0|3,0,0]=4 786 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,0,1,0,0,0|3,0,0]=4 787 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,0,1,0,0,0|3,0,0]=4 788 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,0,1,0,0,0|3,0,0]=4 789 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,0,1,0,0,0|3,0,0]=4 790 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,0,1,0,0,0|3,0,0]=4 791 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,0,1,0,0,0|3,0,0]=4 792 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,0,1,0,0,0|3,0,0]=4 793 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,0,1,0,0,0|3,0,0]=4 794 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,0,1,0,0,0|3,0,0]=4 795 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,0,1,0,0,0|3,0,0]=4 796 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,0,1,0,0,0|3,0,0]=4 797 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,0,1,0,0,0|2,0,0]=3 798 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,0,1,0,0,0|2,0,0]=3 799 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,0,1,0,0,0|2,0,0]=3 800 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,0,1,0,0,0|2,0,0]=3 801 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,0,1,0,0,0|2,0,0]=3 802 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,0,1,0,0,0|2,0,0]=3 803 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [0,0,1,0,0,0|3,0,0]=4 804 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [0,0,1,0,0,0|3,0,0]=4 805 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [0,0,1,0,0,0|3,0,0]=4 806 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [0,0,1,0,0,0|3,0,0]=4 807 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [0,0,1,0,0,0|3,0,0]=4 808 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,0,1,0,0,0|2,0,0]=3 809 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,0,1,0,0,0|2,0,0]=3 810 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [0,0,1,0,0,0|3,0,0]=4 811 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [0,0,1,0,0,0|3,0,0]=4 812 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [0,0,1,0,0,0|3,0,0]=4 813 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [0,0,1,0,0,0|3,0,0]=4 814 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,0,1,0,0,0|2,0,0]=3 815 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,0,1,0,0,0|2,0,0]=3 816 B8R0.4 C=COCCSCCF 62a_100000039644_100011217306 [0,0,1,0,0,0|3,0,0]=4 817 B8R0.4 C=COCCSCCF 62a_100011217306_100000039644 [0,0,1,0,0,0|3,0,0]=4 818 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [0,0,1,0,0,0|3,0,0]=4 819 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [0,0,1,0,0,0|3,0,0]=4 820 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [0,0,1,0,0,0|3,0,0]=4 821 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [0,0,1,0,0,0|3,0,0]=4 822 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [0,0,1,0,0,0|3,0,0]=4 823 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [0,0,1,0,0,0|3,0,0]=4 824 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,0,1,0,0,0|3,0,0]=4 825 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,0,1,0,0,0|3,0,0]=4 826 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,0,1,0,0,0|3,0,0]=4 827 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,0,1,0,0,0|3,0,0]=4 828 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,0,1,0,0,0|3,0,0]=4 829 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,0,1,0,0,0|3,0,0]=4 830 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,0,1,0,0,0|3,0,0]=4 831 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,0,1,0,0,0|3,0,0]=4 832 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,0,1,0,0,0|3,0,0]=4 833 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,0,1,0,0,0|3,0,0]=4 834 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,0,1,0,0,0|3,0,0]=4 835 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,0,1,0,0,0|3,0,0]=4 836 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,0,1,0,0,0|3,0,0]=4 837 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,0,1,0,0,0|3,0,0]=4 838 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,0,1,0,0,0|3,0,0]=4 839 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,0,1,0,0,0|3,0,0]=4 840 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,0,1,0,0,0|3,0,0]=4 841 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,0,1,0,0,0|3,0,0]=4 842 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,0,1,0,0,0|3,0,0]=4 843 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,0,1,0,0,0|3,0,0]=4 844 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,0,1,0,0,0|3,0,0]=4 845 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,0,1,0,0,0|3,0,0]=4 846 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,0,1,0,0,0|2,0,1]=4 847 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,0,1,0,0,0|2,0,1]=4 848 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,0,1,0,0,0|1,0,1]=3 849 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,0,1,0,0,0|1,0,1]=3 850 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,0,1,0,0,0|1,0,1]=3 851 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,0,1,0,0,0|1,0,1]=3 852 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,0,1,0,0,0|1,0,1]=3 853 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,0,1,0,0,0|1,1,1]=4 854 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,0,1,0,0,0|1,1,1]=4 855 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,0,1,0,0,0|1,1,1]=4 856 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,0,1,0,0,0|1,1,1]=4 857 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,0,1,0,0,0|2,0,0]=3 858 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,0,1,0,0,0|2,0,0]=3 859 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,0,1,0,0,0|2,0,0]=3 860 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,0,1,0,0,0|2,0,0]=3 861 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,0,1,0,0,0|2,0,0]=3 862 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,0,1,0,0,0|2,0,1]=4 863 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,0,1,0,0,0|2,0,1]=4 864 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,0,1,0,0,0|2,0,1]=4 865 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,0,1,0,0,0|2,0,1]=4 866 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,0,1,0,0,0|2,0,1]=4 867 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,0,1,0,0,0|2,0,1]=4 868 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,0,1,0,0,0|2,0,1]=4 869 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,0,1,0,0,0|2,0,1]=4 870 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,0,1,0,0,0|2,0,1]=4 871 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,0,1,0,0,0|2,0,1]=4 872 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,0,1,0,0,0|2,0,1]=4 873 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,0,1,0,0,0|2,0,1]=4 874 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,0,1,0,0,0|2,0,1]=4 875 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,0,1,0,0,0|2,0,0]=3 876 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,0,1,0,0,0|2,0,0]=3 877 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,0,1,0,0,0|2,0,1]=4 878 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,0,1,0,0,0|2,0,1]=4 879 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,0,1,0,0,0|2,0,1]=4 880 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,0,1,0,0,0|2,0,1]=4 881 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,0,1,0,0,0|2,0,1]=4 882 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,0,1,0,0,0|2,0,1]=4 883 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,0,1,0,0,0|2,0,0]=3 884 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,0,1,0,0,0|2,0,1]=4 885 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,0,1,0,0,0|2,0,1]=4 886 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,0,1,0,0,0|2,0,1]=4 887 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,0,1,0,0,0|2,0,1]=4 888 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,0,1,0,0,0|2,0,1]=4 889 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,0,1,0,0,0|2,0,1]=4 890 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,0,1,0,0,0|2,0,1]=4 891 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,0,1,0,0,0|2,0,1]=4 892 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,0,1,0,0,0|2,0,1]=4 893 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,0,1,0,0,0|2,0,1]=4 894 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,0,1,0,0,0|2,0,1]=4 895 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,0,1,0,0,0|2,0,1]=4 896 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,0,1,0,0,0|2,0,1]=4 897 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,0,1,0,0,0|2,0,1]=4 898 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,0,1,0,0,0|2,0,1]=4 899 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,0,1,0,0,0|2,0,1]=4 900 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,0,1,0,0,0|2,0,1]=4 901 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,0,1,0,0,0|2,0,1]=4 902 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,0,1,0,0,0|2,0,1]=4 903 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [0,0,1,0,0,0|2,0,1]=4 904 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [0,0,1,0,0,0|2,0,1]=4 905 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,0,1,0,0,0|2,0,1]=4 906 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,0,1,0,0,0|2,0,1]=4 907 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,0,1,0,0,0|2,0,1]=4 908 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,0,1,0,0,0|2,0,1]=4 909 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,0,1,0,0,0|3,0,0]=4 910 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,0,1,0,0,0|3,0,0]=4 911 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,0,1,0,0,0|3,0,0]=4 912 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,0,1,0,0,0|3,0,0]=4 913 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,0,1,0,0,0|3,0,0]=4 914 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,0,1,0,0,0|3,0,0]=4 915 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,0,1,0,0,0|2,0,0]=3 916 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,0,1,0,0,0|2,0,0]=3 917 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,0,1,0,0,0|2,0,1]=4 918 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,0,1,0,0,0|2,0,1]=4 919 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,0,1,0,0,0|3,0,0]=4 920 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,0,1,0,0,0|3,0,0]=4 921 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,0,1,0,0,0|3,0,0]=4 922 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,0,1,0,0,0|3,0,0]=4 923 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,0,1,0,0,0|3,0,0]=4 924 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,0,1,0,0,0|2,0,0]=3 925 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,0,1,0,0,0|2,0,0]=3 926 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,0,1,0,0,0|3,0,0]=4 927 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,0,1,0,0,0|2,0,1]=4 928 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,0,1,0,0,0|3,0,0]=4 929 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,0,1,0,0,0|3,0,0]=4 930 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,0,1,0,0,0|3,0,0]=4 931 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,0,1,0,0,0|3,0,0]=4 932 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,0,1,0,0,0|3,0,0]=4 933 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,0,1,0,0,0|3,0,0]=4 934 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,0,1,0,0,0|2,0,0]=3 935 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,0,1,0,0,0|2,0,0]=3 936 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,0,1,0,0,0|2,0,1]=4 937 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,0,1,0,0,0|2,0,1]=4 938 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,0,1,0,0,0|3,0,0]=4 939 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,0,1,0,0,0|3,0,0]=4 940 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,0,1,0,0,0|3,0,0]=4 941 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,0,1,0,0,0|3,0,0]=4 942 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,0,1,0,0,0|3,0,0]=4 943 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [0,0,1,0,0,0|2,0,1]=4 944 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [0,0,1,0,0,0|2,0,1]=4 945 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,0,1,0,0,0|2,0,1]=4 946 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,0,1,0,0,0|2,0,1]=4 947 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [0,0,1,0,0,0|2,0,1]=4 948 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [0,0,1,0,0,0|2,0,1]=4 949 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,0,1,0,0,0|2,0,1]=4 950 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,0,1,0,0,0|3,0,0]=4 951 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,0,1,0,0,0|3,0,0]=4 952 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,0,1,0,0,0|3,0,0]=4 953 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,0,1,0,0,0|3,0,0]=4 954 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,0,1,0,0,0|3,0,0]=4 955 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,0,1,0,0,0|3,0,0]=4 956 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,0,1,0,0,0|3,0,0]=4 957 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,0,1,0,0,0|3,0,0]=4 958 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,0,1,0,0,0|3,0,0]=4 959 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,0,1,0,0,0|3,0,0]=4 960 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,0,1,0,0,0|3,0,0]=4 961 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,0,1,0,0,0|3,0,0]=4 962 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,0,1,0,0,0|3,0,0]=4 963 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,0,1,0,0,0|3,0,0]=4 964 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,0,1,0,0,0|3,0,0]=4 965 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,0,1,0,0,0|3,0,0]=4 966 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,0,1,0,0,0|3,0,0]=4 967 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,0,1,0,0,0|3,0,0]=4 968 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,0,1,0,0,0|3,0,0]=4 969 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,0,1,0,0,0|3,0,0]=4 970 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,0,1,0,0,0|2,0,0]=3 971 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,0,1,0,0,0|2,0,0]=3 972 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,0,1,0,0,0|3,0,0]=4 973 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,0,1,0,0,0|3,0,0]=4 974 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,0,1,0,0,0|3,0,0]=4 975 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,0,1,0,0,0|3,0,0]=4 976 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,0,1,0,0,0|3,0,0]=4 977 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,0,1,0,0,0|3,0,0]=4 978 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,0,1,0,0,0|3,0,0]=4 979 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,0,1,0,0,0|3,0,0]=4 980 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [0,0,1,0,0,0|3,0,0]=4 981 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [0,0,1,0,0,0|3,0,0]=4 982 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [0,0,1,0,0,0|2,0,1]=4 983 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,0,1,0,0,0|2,0,1]=4 984 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,0,1,0,0,0|2,0,1]=4 985 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,0,1,0,0,0|1,0,1]=3 986 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,0,1,0,0,0|1,0,1]=3 987 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,0,1,0,0,0|1,0,1]=3 988 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,0,1,0,0,0|1,0,1]=3 989 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,0,1,0,0,0|1,1,1]=4 990 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,0,1,0,0,0|1,1,1]=4 991 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,0,1,0,0,0|1,1,1]=4 992 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,0,1,0,0,0|1,1,1]=4 993 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,0,1,0,0,0|2,0,0]=3 994 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,0,1,0,0,0|2,0,0]=3 995 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,0,1,0,0,0|3,0,0]=4 996 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,0,1,0,0,0|3,0,0]=4 997 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,0,1,0,0,0|2,0,1]=4 998 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,0,1,0,0,0|2,0,1]=4 999 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,0,1,0,0,0|2,0,1]=4 1000 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,0,1,0,0,0|2,0,1]=4 1001 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,0,1,0,0,0|2,0,1]=4 1002 B10R2.58 C=CCN1CC2CC2C1 2230a_100000741873_100000210623 [0,0,0,1,0,0|3,0,0]=4 1003 B10R2.58 C=CCN1CC2CC2C1 269982a_100000741873_100000210623 [0,0,0,1,0,0|3,0,0]=4 1004 B10R2.58 C=CCN1CC2CC2C1 34a_100000741873_100015514636 [0,0,0,1,0,0|3,0,0]=4 1005 B10R2.58 CCNC1CC2CC2C1 270004a_100015525214_100010340937 [0,0,0,1,0,0|2,0,1]=4 1006 B10R2.58 O=CCN1CC2CC2C1 2230a_100000741873_200015260668 [0,0,0,1,0,0|2,0,0]=3 1007 B10R2.58 O=CCN1CC2CC2C1 269982a_100000741873_200015260668 [0,0,0,1,0,0|2,0,0]=3 1008 B10R2.58 O=CCN1CC2CC2C1 34a_100000741873_200009817547 [0,0,0,1,0,0|2,0,0]=3 1009 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 1010 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 1011 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 1012 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 1013 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 1014 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 1015 B10R2.161 CCN1C2CCC1CC2 2230a_100000735658_100000210202 [0,0,0,1,0,0|2,0,1]=4 1016 B10R2.161 CCN1C2CCC1CC2 269982a_100000735658_100000204670 [0,0,0,1,0,0|2,0,1]=4 1017 B10R2.161 CCN1C2CCC1CC2 34a_100000735658_100000210202 [0,0,0,1,0,0|2,0,1]=4 1018 B10R2.161 CNC1C2CCC1CC2 34a_100102657272_100009813300 [0,0,0,1,0,0|3,0,0]=4 1019 B10R2.161 COC1C2CCC1CC2 34a_100138415774_100009813300 [0,0,0,1,0,0|3,0,0]=4 1020 B10R2.161 CSC1C2CCC1CC2 62a_100009813300_200000210301 [0,0,0,1,0,0|3,0,0]=4 1021 B10R2.161 CSC1C2CCC1CC2 62a_200000210301_100009813300 [0,0,0,1,0,0|3,0,0]=4 1022 B10R2.161 FCN1C2CCC1CC2 269982a_100000735658_100015361967 [0,0,0,1,0,0|2,0,1]=4 1023 B10R2.161 FCN1C2CCC1CC2 34a_100000735658_100015361967 [0,0,0,1,0,0|2,0,1]=4 1024 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_100009813300_200025704644 [0,0,0,1,0,0|3,0,0]=4 1025 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_200025704644_100009813300 [0,0,0,1,0,0|3,0,0]=4 1026 B10R2.368 CCNC1CCC2C1C2 269862a_100015525214_100000692480 [0,0,0,1,0,0|2,0,1]=4 1027 B10R2.368 CCNC1CCC2C1C2 270004a_100015525214_100000692480 [0,0,0,1,0,0|2,0,1]=4 1028 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [0,0,0,1,0,0|1,0,1]=3 1029 B10R2.368 FCOC1CCC2C1C2 34a_200012295571_100015361967 [0,0,0,1,0,0|1,0,1]=3 1030 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,0,0,0,1,0|3,0,0]=4 1031 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,0,0,0,1,0|3,0,0]=4 1032 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,0,0,1,0|2,0,1]=4 1033 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,0,0,1,0|2,0,1]=4 1034 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,0,0,1,0|2,0,1]=4 1035 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,0,0,1,0|2,0,1]=4 1036 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,0,1,0|1,0,1]=3 1037 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,0,1,0|1,0,1]=3 1038 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,0,1,0|1,0,1]=3 1039 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,0,0,1,0|2,0,1]=4 1040 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,0,0,0,1,0|2,0,1]=4 1041 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,0,0,0,1,0|2,0,1]=4 1042 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,0,0,0,1,0|2,0,1]=4 1043 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,0,0,0,1,0|1,1,1]=4 1044 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,0,0,0,1,0|1,1,1]=4 1045 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,0,0,0,1,0|3,0,0]=4 1046 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,0,0,0,1,0|3,0,0]=4 1047 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,0,0,0,1,0|3,0,0]=4 1048 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,0,0,0,1,0|3,0,0]=4 1049 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,0,0,0,1,0|3,0,0]=4 1050 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,0,0,0,1,0|3,0,0]=4 1051 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,0,0,0,1,0|3,0,0]=4 1052 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,0,0,0,1,0|3,0,0]=4 1053 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,0,0,0,1,0|3,0,0]=4 1054 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,0,0,1,0|3,0,0]=4 1055 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,0,0,1,0|3,0,0]=4 1056 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,0,0,0,1,0|2,0,1]=4 1057 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,0,0,0,1,0|1,0,1]=3 1058 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,0,0,0,1,0|1,0,1]=3 1059 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,0,0,0,1,0|2,0,1]=4 1060 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,0,0,0,1,0|2,0,1]=4 1061 B8R1.8 FCO[C@H]1CCOC1 34a_100000717292_100015361967 [0,0,0,0,1,0|2,0,1]=4 1062 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,0,0,0,1,0|1,1,1]=4 1063 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,0,0,0,1,0|1,1,1]=4 1064 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,0,0,0,1,0|2,0,0]=3 1065 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,0,0,0,1,0|2,0,0]=3 1066 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,0,0,0,1,0|3,0,0]=4 1067 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,0,0,0,1,0|3,0,0]=4 1068 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,0,0,0,1,0|3,0,0]=4 1069 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,0,0,0,1,0|3,0,0]=4 1070 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,0,0,0,1,0|3,0,0]=4 1071 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,0,0,0,1,0|3,0,0]=4 1072 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,0,0,1,0|3,0,0]=4 1073 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,0,0,1,0|3,0,0]=4 1074 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,0,0,0,0,1|3,0,0]=4 1075 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,0,0,0,0,1|3,0,0]=4 1076 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,0,0,0,0,1|3,0,0]=4 1077 B10R1.85 C=CCN1CCCOCC1 2230a_100000685342_100000210623 [0,0,0,0,0,1|3,0,0]=4 1078 B10R1.85 C=CCN1CCCOCC1 269982a_100000685342_100000210623 [0,0,0,0,0,1|3,0,0]=4 1079 B10R1.85 C=CCN1CCCOCC1 34a_100000685342_100015514636 [0,0,0,0,0,1|3,0,0]=4 1080 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,0,0,0,0,1|2,0,1]=4 1081 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,0,0,0,0,1|2,0,1]=4 1082 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,0,0,0,0,1|2,0,1]=4 1083 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [0,0,0,0,0,1|2,0,1]=4 1084 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,0,0,0,1|1,0,1]=3 1085 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,0,0,0,1|1,0,1]=3 1086 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,0,0,0,1|1,0,1]=3 1087 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,0,0,0,0,1|1,1,1]=4 1088 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,0,0,0,0,1|1,1,1]=4 1089 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,0,0,0,0,1|3,0,0]=4 1090 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,0,0,0,0,1|3,0,0]=4 1091 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,0,0,0,0,1|3,0,0]=4 1092 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,0,0,0,0,1|3,0,0]=4 1093 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,0,0,0,0,1|3,0,0]=4 1094 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,0,0,0,0,1|3,0,0]=4 1095 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,0,0,0,0,1|3,0,0]=4 1096 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,0,0,0,0,1|3,0,0]=4 1097 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,0,0,0,0,1|3,0,0]=4 1098 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,0,0,0,0,1|3,0,0]=4 1099 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,0,0,0,0,1|3,0,0]=4 1100 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,0,0,0,0,1|2,0,1]=4 1101 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,0,0,0,0,1|1,0,1]=3 1102 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,0,0,0,0,1|1,0,1]=3 1103 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,0,0,0,0,1|1,1,1]=4 1104 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,0,0,0,0,1|1,1,1]=4 1105 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,0,0,0,0,1|2,0,0]=3 1106 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,0,0,0,0,1|2,0,0]=3 1107 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,0,0,0,0,1|2,0,0]=3 1108 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [0,0,0,0,0,1|2,0,0]=3 1109 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [0,0,0,0,0,1|2,0,0]=3 1110 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [0,0,0,0,0,1|2,0,0]=3 1111 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,0,0,0,0,1|3,0,0]=4 1112 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,0,0,0,0,1|3,0,0]=4 1113 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,0,0,0,0,1|3,0,0]=4 1114 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,0,0,0,0,1|3,0,0]=4 1115 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,0,0,0,0,1|3,0,0]=4 1116 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,0,0,0,0,1|3,0,0]=4 1117 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,1,0,0,0|2,0,0]=4 1118 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,1,0,0,0|2,0,0]=4 1119 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,1,0,0,0|2,0,0]=4 1120 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,1,0,0,0|2,0,0]=4 1121 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,1,0,0,0|2,0,0]=4 1122 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,1,0,0,0|2,0,0]=4 1123 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,1,0,0,0|2,0,0]=4 1124 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 1125 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,1,0,0,0|2,0,0]=4 1126 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 1127 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 1128 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 1129 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,1,0,0,0|2,0,0]=4 1130 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,1,0,0,0|2,0,0]=4 1131 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,1,0,0,0|2,0,0]=4 1132 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,1,0,0,0|2,0,0]=4 1133 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,1,0,0,0|2,0,0]=4 1134 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,1,0,0,0|2,0,0]=4 1135 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,1,0,0,0|2,0,0]=4 1136 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,1,0,0,0|2,0,0]=4 1137 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,1,0,0,0|2,0,0]=4 1138 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,1,0,0,0|2,0,0]=4 1139 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,1,0,0,0|2,0,0]=4 1140 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,1,0,0,0|2,0,0]=4 1141 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,1,0,0,0|2,0,0]=4 1142 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,1,0,0,0|2,0,0]=4 1143 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,1,0,0,0|2,0,0]=4 1144 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,1,0,0,0|2,0,0]=4 1145 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,1,0,0,0|2,0,0]=4 1146 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,1,0,0,0|2,0,0]=4 1147 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,1,0,0,0|2,0,0]=4 1148 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,1,0,0,0|2,0,0]=4 1149 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,1,0,0,0|2,0,0]=4 1150 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,1,0,0,0|2,0,0]=4 1151 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,1,0,0,0|2,0,0]=4 1152 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,1,0,0,0|2,0,0]=4 1153 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,1,0,0,0|2,0,0]=4 1154 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,1,0,0,0|2,0,0]=4 1155 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,1,0,0,0|2,0,0]=4 1156 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,1,0,0,0|2,0,0]=4 1157 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,1,0,0,0|2,0,0]=4 1158 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,1,0,0,0|2,0,0]=4 1159 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,1,0,0,0|2,0,0]=4 1160 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,1,0,0,0|2,0,0]=4 1161 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,1,0,0,0|2,0,0]=4 1162 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,1,0,0,0|2,0,0]=4 1163 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,1,0,0,0|1,0,1]=4 1164 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,1,0,0,0|1,0,1]=4 1165 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,1,0,0,0|1,0,1]=4 1166 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,1,0,0,0|1,0,1]=4 1167 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,1,0,0,0|1,0,1]=4 1168 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,1,0,0,0|0,0,1]=3 1169 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,1,0,0,0|0,0,1]=3 1170 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,1,0,0,0|0,0,1]=3 1171 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,1,0,0,0|0,0,1]=3 1172 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,1,0,0,0|0,0,1]=3 1173 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,1,0,0,0|0,1,1]=4 1174 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,1,0,0,0|0,1,1]=4 1175 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,1,0,0,0|0,1,1]=4 1176 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,1,0,0,0|0,1,1]=4 1177 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,1,0,0,0|1,0,1]=4 1178 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,1,0,0,0|1,0,1]=4 1179 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,1,0,0,0|1,0,1]=4 1180 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,1,0,0,0|1,0,1]=4 1181 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,1,0,0,0|1,0,1]=4 1182 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,1,0,0,0|1,0,0]=3 1183 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,1,0,0,0|1,0,0]=3 1184 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,1,0,0,0|1,0,1]=4 1185 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,1,0,0,0|1,0,0]=3 1186 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,1,0,0,0|1,0,0]=3 1187 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,1,0,0,0|1,0,1]=4 1188 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,1,0,0,0|1,0,0]=3 1189 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,1,0,0,0|1,0,0]=3 1190 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,1,0,0,0|1,0,1]=4 1191 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,1,0,0,0|1,0,1]=4 1192 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,1,0,0,0|1,0,1]=4 1193 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,1,0,0,0|1,0,1]=4 1194 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,1,0,0,0|1,0,1]=4 1195 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,1,0,0,0|1,0,1]=4 1196 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,1,0,0,0|1,0,1]=4 1197 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,1,0,0,0|1,0,1]=4 1198 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,1,0,0,0|2,0,0]=4 1199 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,1,0,0,0|1,0,1]=4 1200 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,1,0,0,0|1,0,1]=4 1201 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,1,0,0,0|1,0,1]=4 1202 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,1,0,0,0|1,0,1]=4 1203 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,1,0,0,0|1,0,1]=4 1204 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,1,0,0,0|1,0,1]=4 1205 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,1,0,0,0|1,0,1]=4 1206 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,1,0,0,0|1,0,1]=4 1207 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,1,0,0,0|1,0,0]=3 1208 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,1,0,0,0|1,0,1]=4 1209 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,1,0,0,0|1,0,1]=4 1210 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,1,0,0,0|1,0,1]=4 1211 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,1,0,0,0|1,0,1]=4 1212 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,1,0,0,0|1,0,1]=4 1213 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,1,0,0,0|1,0,1]=4 1214 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,1,0,0,0|1,0,1]=4 1215 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,1,0,0,0|1,0,1]=4 1216 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,1,0,0,0|1,0,1]=4 1217 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,1,0,0,0|2,0,0]=4 1218 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,1,0,0,0|2,0,0]=4 1219 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,1,0,0,0|1,0,0]=3 1220 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,1,0,0,0|1,0,0]=3 1221 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,1,0,0,0|1,0,1]=4 1222 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,1,0,0,0|1,0,1]=4 1223 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,1,0,0,0|1,0,1]=4 1224 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,1,0,0,0|1,0,1]=4 1225 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,1,0,0,0|1,0,1]=4 1226 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,1,0,0,0|1,0,1]=4 1227 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,1,0,0,0|1,0,0]=3 1228 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,1,0,0,0|1,0,0]=3 1229 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,1,0,0,0|1,0,1]=4 1230 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,1,0,0,0|1,0,1]=4 1231 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,1,0,0,0|1,0,1]=4 1232 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,1,0,0,0|1,0,1]=4 1233 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,1,0,0,0|1,0,1]=4 1234 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,1,0,0,0|1,0,1]=4 1235 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,1,0,0,0|1,0,1]=4 1236 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,1,0,0,0|1,0,1]=4 1237 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,1,0,0,0|1,0,1]=4 1238 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,1,0,0,0|1,0,1]=4 1239 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,1,0,0,0|1,0,1]=4 1240 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,1,0,0,0|1,0,1]=4 1241 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,1,0,0,0|1,0,1]=4 1242 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,1,0,0,0|1,0,1]=4 1243 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,1,0,0,0|1,0,1]=4 1244 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,1,0,0,0|1,0,1]=4 1245 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,1,0,0,0|1,0,1]=4 1246 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,1,0,0,0|1,0,1]=4 1247 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,1,0,0,0|1,0,1]=4 1248 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,1,0,0,0|1,0,1]=4 1249 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,1,0,0,0|1,0,1]=4 1250 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,1,0,0,0|2,0,0]=4 1251 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,1,0,0,0|2,0,0]=4 1252 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,1,0,0,0|2,0,0]=4 1253 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,1,0,0,0|2,0,0]=4 1254 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,1,0,0,0|1,0,0]=3 1255 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,1,0,0,0|1,0,0]=3 1256 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,1,0,0,0|1,0,1]=4 1257 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,1,0,0,0|1,0,1]=4 1258 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,1,0,0,0|2,0,0]=4 1259 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,1,0,0,0|2,0,0]=4 1260 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,1,0,0,0|2,0,0]=4 1261 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,1,0,0,0|2,0,0]=4 1262 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,1,0,0,0|2,0,0]=4 1263 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,1,0,0,0|2,0,0]=4 1264 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,1,0,0,0|2,0,0]=4 1265 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,1,0,0,0|2,0,0]=4 1266 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,1,0,0,0|2,0,0]=4 1267 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,1,0,0,0|2,0,0]=4 1268 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,1,0,0,0|2,0,0]=4 1269 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,1,0,0,0|2,0,0]=4 1270 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,1,0,0,0|2,0,0]=4 1271 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,1,0,0,0|2,0,0]=4 1272 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,1,0,0,0|2,0,0]=4 1273 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,1,0,0,0|2,0,0]=4 1274 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,1,0,0,0|2,0,0]=4 1275 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,1,0,0,0|1,0,1]=4 1276 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,1,0,0,0|1,0,1]=4 1277 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,1,0,0,0|1,0,1]=4 1278 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,1,0,0,0|1,0,1]=4 1279 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,1,0,0,0|1,0,1]=4 1280 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,1,0,0,0|1,0,1]=4 1281 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,1,0,0,0|1,0,1]=4 1282 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,1,0,0,0|1,0,0]=3 1283 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,1,0,0,0|1,0,0]=3 1284 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,1,0,0,0|2,0,0]=4 1285 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,1,0,0,0|2,0,0]=4 1286 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,1,0,0,0|2,0,0]=4 1287 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,1,0,0,0|2,0,0]=4 1288 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,0,1,0,0,0|1,0,1]=4 1289 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,0,1,0,0,0|1,0,1]=4 1290 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,1,0,0,0|1,0,1]=4 1291 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,1,0,0,0|1,0,1]=4 1292 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,1,0,0,0|1,0,1]=4 1293 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,1,0,0,0|1,0,1]=4 1294 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,1,0,0,0|1,0,1]=4 1295 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,1,0,0,0|1,0,1]=4 1296 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,1,0,0,0|0,0,1]=3 1297 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,1,0,0,0|0,0,1]=3 1298 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,1,0,0,0|0,0,1]=3 1299 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,1,0,0,0|0,0,1]=3 1300 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,1,0,0,0|0,0,1]=3 1301 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,1,0,0,0|0,1,1]=4 1302 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,1,0,0,0|0,1,1]=4 1303 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,1,0,0,0|0,1,1]=4 1304 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,1,0,0,0|0,1,1]=4 1305 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,1,0,0,0|1,0,1]=4 1306 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,1,0,0,0|1,0,1]=4 1307 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,0,1,0,0,0|1,0,1]=4 1308 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,0,1,0,0,0|1,0,1]=4 1309 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,0,1,0,0,0|1,0,1]=4 1310 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,0,1,0,0,0|1,0,1]=4 1311 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,0,1,0,0,0|1,0,1]=4 1312 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,0,1,0,0,0|1,0,1]=4 1313 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,0,1,0,0,0|1,0,1]=4 1314 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,0,1,0,0,0|1,0,1]=4 1315 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,0,1,0,0,0|1,0,1]=4 1316 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,0,1,0,0,0|1,0,1]=4 1317 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,1,0,0,0|1,0,1]=4 1318 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,1,0,0,0|1,0,1]=4 1319 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,1,0,0,0|1,0,1]=4 1320 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,0,1,0,0,0|1,0,1]=4 1321 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,0,1,0,0,0|1,0,1]=4 1322 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,0,1,0,0,0|2,0,0]=4 1323 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,0,1,0,0,0|2,0,0]=4 1324 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,0,1,0,0,0|2,0,0]=4 1325 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,0,1,0,0,0|2,0,0]=4 1326 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1327 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1328 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1329 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1330 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [1,0,1,0,0,0|1,0,1]=4 1331 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [1,0,1,0,0,0|1,0,1]=4 1332 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [1,0,1,0,0,0|1,0,1]=4 1333 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [1,0,1,0,0,0|1,0,1]=4 1334 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [1,0,1,0,0,0|1,0,1]=4 1335 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [1,0,1,0,0,0|1,0,1]=4 1336 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [1,0,1,0,0,0|1,0,1]=4 1337 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,0,1,0,0,0|1,0,1]=4 1338 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,0,1,0,0,0|1,0,1]=4 1339 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,0,1,0,0,0|1,0,1]=4 1340 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,0,1,0,0,0|1,0,1]=4 1341 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,0,1,0,0,0|0,0,1]=3 1342 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,0,1,0,0,0|0,0,1]=3 1343 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,0,1,0,0,0|0,0,1]=3 1344 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,0,1,0,0,0|0,0,1]=3 1345 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,0,1,0,0,0|0,1,1]=4 1346 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,0,1,0,0,0|0,1,1]=4 1347 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,0,1,0,0,0|0,1,1]=4 1348 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,0,1,0,0,0|0,1,1]=4 1349 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [1,0,1,0,0,0|2,0,0]=4 1350 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [1,0,1,0,0,0|2,0,0]=4 1351 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [1,0,1,0,0,0|2,0,0]=4 1352 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,0,1,0,0,0|1,0,1]=4 1353 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,1,1,0,0,0|2,0,0]=4 1354 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,1,1,0,0,0|2,0,0]=4 1355 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,1,1,0,0,0|2,0,0]=4 1356 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,1,1,0,0,0|2,0,0]=4 1357 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,1,0,0,0|1,0,0]=3 1358 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,1,0,0,0|1,0,0]=3 1359 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,1,0,0,0|1,0,0]=3 1360 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,1,0,0,0|1,0,0]=3 1361 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,1,1,0,0,0|1,0,1]=4 1362 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,1,1,0,0,0|1,0,1]=4 1363 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,1,1,0,0,0|1,0,1]=4 1364 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,1,1,0,0,0|2,0,0]=4 1365 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,1,1,0,0,0|2,0,0]=4 1366 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,1,1,0,0,0|2,0,0]=4 1367 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,1,0,0,0|2,0,0]=4 1368 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,1,1,0,0,0|2,0,0]=4 1369 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,1,0,0,0|1,0,0]=3 1370 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,1,0,0,0|1,0,0]=3 1371 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,1,1,0,0,0|2,0,0]=4 1372 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,1,1,0,0,0|2,0,0]=4 1373 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,1,1,0,0,0|2,0,0]=4 1374 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,1,1,0,0,0|2,0,0]=4 1375 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,1,0,0,0|2,0,0]=4 1376 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,1,1,0,0,0|2,0,0]=4 1377 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,1,1,0,0,0|2,0,0]=4 1378 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,1,0,0,0|2,0,0]=4 1379 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,1,0,0,0|2,0,0]=4 1380 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,1,0,0,0|1,0,1]=4 1381 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,1,0,0,0|1,0,1]=4 1382 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,1,0,0,0|1,0,1]=4 1383 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,1,0,0,0|1,0,1]=4 1384 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,1,0,0,0|1,0,1]=4 1385 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,1,0,0,0|2,0,0]=4 1386 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,1,0,0,0|2,0,0]=4 1387 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,1,0,0,0|1,0,1]=4 1388 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,1,0,0,0|1,0,1]=4 1389 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [0,1,1,0,0,0|2,0,0]=4 1390 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [0,1,1,0,0,0|2,0,0]=4 1391 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,1,1,0,0,0|1,0,1]=4 1392 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,1,1,0,0,0|1,0,1]=4 1393 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [0,1,1,0,0,0|2,0,0]=4 1394 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [0,1,1,0,0,0|2,0,0]=4 1395 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,1,0,0,0|2,0,0]=4 1396 B9R0.18 C#CCOC(C)CCCC 34a_100000210247_200011215066 [0,1,1,0,0,0|1,0,1]=4 1397 B9R0.18 C#CCOC(C)CCCC 34a_100000687866_100000184674 [0,1,1,0,0,0|1,0,1]=4 1398 B9R0.18 C#CCOC(C)CCCC 7a_100000687866_100000038162 [0,1,1,0,0,0|1,0,1]=4 1399 B9R0.18 C=CCCC(C)OCC=O 34a_100000765329_200009817547 [0,1,1,0,0,0|0,0,2]=4 1400 B9R0.18 C=CCCC(C)OCC=O 7a_100000765329_200015260668 [0,1,1,0,0,0|0,0,2]=4 1401 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [0,1,1,0,0,0|2,0,0]=4 1402 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [0,1,1,0,0,0|2,0,0]=4 1403 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [0,1,1,0,0,0|2,0,0]=4 1404 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,1,1,0,0,0|1,0,0]=3 1405 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,1,1,0,0,0|1,0,0]=3 1406 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,1,1,0,0,0|1,0,0]=3 1407 B9R0.18 C=CCOC(C)CCCCl 34a_200000718107_100015514636 [0,1,1,0,0,0|2,0,0]=4 1408 B9R0.18 C=CCOC(C)CCCCl 7a_200000718107_100015514636 [0,1,1,0,0,0|2,0,0]=4 1409 B9R0.18 C=CCOC(C)COCC 34a_100000718985_100015514636 [0,1,1,0,0,0|2,0,0]=4 1410 B9R0.18 C=CCOC(C)COCC 7a_100000718985_100015514636 [0,1,1,0,0,0|2,0,0]=4 1411 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,1,1,0,0,0|1,1,0]=4 1412 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,1,1,0,0,0|1,1,0]=4 1413 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [0,1,1,0,0,0|1,0,0]=3 1414 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [0,1,1,0,0,0|1,0,0]=3 1415 B9R0.18 CCC#CC(C)OCC=O 34a_100000033903_200009817547 [0,1,1,0,0,0|0,0,2]=4 1416 B9R0.18 CCC#CC(C)OCC=O 7a_100000033903_200015260668 [0,1,1,0,0,0|0,0,2]=4 1417 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,1,1,0,0,0|1,0,1]=4 1418 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,1,1,0,0,0|1,0,1]=4 1419 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,1,1,0,0,0|1,0,1]=4 1420 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,1,1,0,0,0|1,0,1]=4 1421 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [0,1,1,0,0,0|1,0,0]=3 1422 B9R0.18 CCCCC(C)OCC#N 7a_100000687866_100011215382 [0,1,1,0,0,0|1,0,1]=4 1423 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,1,1,0,0,0|0,0,0]=2 1424 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,1,1,0,0,0|0,0,0]=2 1425 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,1,1,0,0,0|1,0,1]=4 1426 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,1,1,0,0,0|1,0,1]=4 1427 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,1,1,0,0,0|1,0,1]=4 1428 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,1,1,0,0,0|1,0,1]=4 1429 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,1,1,0,0,0|1,0,1]=4 1430 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,1,1,0,0,0|1,0,1]=4 1431 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,1,1,0,0,0|1,0,1]=4 1432 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,1,1,0,0,0|0,0,2]=4 1433 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,1,1,0,0,0|0,0,2]=4 1434 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,1,1,0,0,0|0,1,1]=4 1435 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,1,1,0,0,0|0,1,0]=3 1436 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,1,1,0,0,0|0,1,0]=3 1437 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [0,1,1,0,0,0|1,0,0]=3 1438 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [0,1,1,0,0,0|1,0,0]=3 1439 B9R0.34 CCC(C)CN(C)CC=O 2230a_100000753921_200015260668 [0,1,1,0,0,0|2,0,0]=4 1440 B9R0.34 CCC(C)CN(C)CC=O 269982a_100000753921_200015260668 [0,1,1,0,0,0|2,0,0]=4 1441 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,1,1,0,0,0|1,0,1]=4 1442 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,1,1,0,0,0|1,0,1]=4 1443 B9R0.35 CCCC(C)C(C)OCF 34a_100000708338_100015361967 [0,1,1,0,0,0|1,0,1]=4 1444 B9R0.35 CCCC(C)C(C)OCF 7a_100000708338_100015361967 [0,1,1,0,0,0|1,0,1]=4 1445 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [0,1,1,0,0,0|2,0,0]=4 1446 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [0,1,1,0,0,0|2,0,0]=4 1447 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [0,1,1,0,0,0|2,0,0]=4 1448 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [0,1,1,0,0,0|2,0,0]=4 1449 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,1,1,0,0,0|1,0,1]=4 1450 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,1,1,0,0,0|1,0,1]=4 1451 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,1,1,0,0,0|1,0,1]=4 1452 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [0,1,1,0,0,0|1,0,1]=4 1453 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [0,1,1,0,0,0|1,0,1]=4 1454 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [0,1,1,0,0,0|2,0,0]=4 1455 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [0,1,1,0,0,0|2,0,0]=4 1456 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,1,1,0,0,0|1,0,1]=4 1457 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,1,1,0,0,0|1,0,1]=4 1458 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,1,1,0,0,0|2,0,0]=4 1459 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,1,1,0,0,0|2,0,0]=4 1460 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,1,1,0,0,0|1,0,1]=4 1461 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,1,1,0,0,0|1,0,1]=4 1462 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,1,1,0,0,0|1,0,1]=4 1463 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [0,1,1,0,0,0|1,0,1]=4 1464 B9R0.66 CCCCC(C)(C)OCF 7a_100011219641_100015361967 [0,1,1,0,0,0|1,0,1]=4 1465 B9R0.2 C=COCCCNC(C)C 2230a_100000210767_100000210206 [0,1,1,0,0,0|2,0,0]=4 1466 B9R0.2 C=COCCCNC(C)C 34a_100000210767_100000210206 [0,1,1,0,0,0|2,0,0]=4 1467 B9R0.2 C=COCCNCC(C)C 2230a_100000210953_100000039644 [0,1,1,0,0,0|2,0,0]=4 1468 B9R0.2 C=COCCNCC(C)C 34a_100000210953_100000039644 [0,1,1,0,0,0|2,0,0]=4 1469 B9R0.2 C=COCCNCC(C)O 2230a_100000210904_100000039644 [0,1,1,0,0,0|2,0,0]=4 1470 B9R0.2 C=COCCNCC(C)O 34a_100000210904_100000039644 [0,1,1,0,0,0|2,0,0]=4 1471 B9R0.2 C=COCCOCC(C)Br 34a_100012180447_100000039644 [0,1,1,0,0,0|2,0,0]=4 1472 B9R0.2 C=COCCOCC(C)C 34a_100000033082_100000210624 [0,1,1,0,0,0|2,0,0]=4 1473 B9R0.2 C=COCCOCC(C)C 34a_100000210257_100000039644 [0,1,1,0,0,0|2,0,0]=4 1474 B9R0.2 C=COCCOCC(C)F 34a_100015925927_100000039644 [0,1,1,0,0,0|2,0,0]=4 1475 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,1,1,0,0,0|2,0,0]=4 1476 B9R0.2 C=COCCOC[C@@H](C)Cl 34a_100016084084_100000039644 [0,1,1,0,0,0|2,0,0]=4 1477 B9R0.2 C=COCCOC[C@@H](C)N 34a_100000737577_100000039644 [0,1,1,0,0,0|2,0,0]=4 1478 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,1,1,0,0,0|2,0,0]=4 1479 B9R0.2 C=COCCSCC(C)C 62a_100000039644_100000210760 [0,1,1,0,0,0|2,0,0]=4 1480 B9R0.2 C=COCCSCC(C)C 62a_100000210624_100000039644 [0,1,1,0,0,0|2,0,0]=4 1481 B9R0.2 C=COCCSCC(C)O 62a_100000039644_100011218427 [0,1,1,0,0,0|2,0,0]=4 1482 B9R0.2 C=COCCSCC(C)O 62a_100011218427_100000039644 [0,1,1,0,0,0|2,0,0]=4 1483 B9R0.2 C=COCCSC[C@@H](C)O 62a_100000039644_100009817552 [0,1,1,0,0,0|2,0,0]=4 1484 B9R0.2 C=COCCSC[C@@H](C)O 62a_100009817552_100000039644 [0,1,1,0,0,0|2,0,0]=4 1485 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,1,0,0,0|2,0,0]=4 1486 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,1,0,0,0|2,0,0]=4 1487 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,1,0,0,0|2,0,0]=4 1488 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,1,0,0,0|2,0,0]=4 1489 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,1,0,0,0|2,0,0]=4 1490 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,1,0,0,0|2,0,0]=4 1491 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,1,0,0,0|1,0,0]=3 1492 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,1,0,0,0|1,0,0]=3 1493 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,1,0,0,0|1,0,0]=3 1494 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,1,0,0,0|1,0,0]=3 1495 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,1,0,0,0|2,0,0]=4 1496 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,1,0,0,0|2,0,0]=4 1497 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,1,0,0,0|2,0,0]=4 1498 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,1,0,0,0|2,0,0]=4 1499 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,1,0,0,0|2,0,0]=4 1500 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,1,0,0,0|2,0,0]=4 1501 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,1,1,0,0,0|2,0,0]=4 1502 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,1,1,0,0,0|2,0,0]=4 1503 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,1,0,0,0|2,0,0]=4 1504 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,1,0,0,0|2,0,0]=4 1505 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,1,0,0,0|2,0,0]=4 1506 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,1,0,0,0|2,0,0]=4 1507 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,1,0,0,0|2,0,0]=4 1508 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,1,0,0,0|2,0,0]=4 1509 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,1,0,0,0|2,0,0]=4 1510 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,1,0,0,0|2,0,0]=4 1511 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,1,0,0,0|2,0,0]=4 1512 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,1,0,0,0|2,0,0]=4 1513 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,1,0,0,0|2,0,0]=4 1514 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,1,0,0,0|2,0,0]=4 1515 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,1,0,0,0|2,0,0]=4 1516 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,1,0,0,0|1,1,0]=4 1517 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,1,0,0,0|1,1,0]=4 1518 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,1,1,0,0,0|1,0,1]=4 1519 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,1,1,0,0,0|1,0,1]=4 1520 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,1,1,0,0,0|2,0,0]=4 1521 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,1,1,0,0,0|2,0,0]=4 1522 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,1,1,0,0,0|2,0,0]=4 1523 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,1,1,0,0,0|2,0,0]=4 1524 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,1,1,0,0,0|2,0,0]=4 1525 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,1,1,0,0,0|2,0,0]=4 1526 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,1,1,0,0,0|2,0,0]=4 1527 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,1,1,0,0,0|2,0,0]=4 1528 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,1,1,0,0,0|2,0,0]=4 1529 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,1,1,0,0,0|2,0,0]=4 1530 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,1,1,0,0,0|2,0,0]=4 1531 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,1,1,0,0,0|2,0,0]=4 1532 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,1,1,0,0,0|2,0,0]=4 1533 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,1,1,0,0,0|2,0,0]=4 1534 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,1,1,0,0,0|2,0,0]=4 1535 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,1,1,0,0,0|2,0,0]=4 1536 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,1,1,0,0,0|2,0,0]=4 1537 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,1,0,0,0|1,0,1]=4 1538 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,1,0,0,0|1,0,1]=4 1539 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,1,0,0,0|1,0,1]=4 1540 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,1,0,0,0|1,0,1]=4 1541 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,1,0,0,0|1,0,0]=3 1542 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,1,0,0,0|1,0,0]=3 1543 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,1,0,0,0|1,0,0]=3 1544 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 1545 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 1546 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 1547 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,1,0,0,0|1,0,0]=3 1548 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,1,0,0,0|1,0,1]=4 1549 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,1,0,0,0|1,0,1]=4 1550 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,1,0,0,0|1,0,1]=4 1551 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,1,0,0,0|2,0,0]=4 1552 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,1,0,0,0|2,0,0]=4 1553 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,1,0,0,0|2,0,0]=4 1554 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,1,0,0,0|2,0,0]=4 1555 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,1,0,0,0|2,0,0]=4 1556 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,1,0,0,0|2,0,0]=4 1557 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,1,0,0,0|2,0,0]=4 1558 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,1,0,0,0|2,0,0]=4 1559 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,1,0,0,0|2,0,0]=4 1560 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,1,0,0,0|2,0,0]=4 1561 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,1,0,0,0|2,0,0]=4 1562 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,1,0,0,0|2,0,0]=4 1563 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,1,0,0,0|2,0,0]=4 1564 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,1,0,0,0|2,0,0]=4 1565 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,1,0,0,0|2,0,0]=4 1566 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,1,0,0,0|2,0,0]=4 1567 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,1,0,0,0|2,0,0]=4 1568 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,1,0,0,0|2,0,0]=4 1569 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,1,0,0,0|2,0,0]=4 1570 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,1,0,0,0|2,0,0]=4 1571 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,1,0,0,0|2,0,0]=4 1572 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,1,0,0,0|2,0,0]=4 1573 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,1,0,0,0|2,0,0]=4 1574 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,1,0,0,0|1,0,0]=3 1575 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,1,0,0,0|2,0,0]=4 1576 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,1,0,0,0|2,0,0]=4 1577 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,1,0,0,0|2,0,0]=4 1578 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,1,0,0,0|2,0,0]=4 1579 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,1,0,0,0|1,0,0]=3 1580 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,1,0,0,0|1,0,0]=3 1581 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,1,0,0,0|2,0,0]=4 1582 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,1,0,0,0|2,0,0]=4 1583 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,1,0,0,0|2,0,0]=4 1584 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,1,0,0,0|2,0,0]=4 1585 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,1,0,0,0|2,0,0]=4 1586 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,1,0,0,0|2,0,0]=4 1587 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,1,0,0,0|2,0,0]=4 1588 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,1,0,0,0|2,0,0]=4 1589 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,1,0,0,0|2,0,0]=4 1590 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,1,0,0,0|2,0,0]=4 1591 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,1,0,0,0|2,0,0]=4 1592 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,1,0,0,0|2,0,0]=4 1593 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,1,0,0,0|1,0,0]=3 1594 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,1,0,0,0|1,0,0]=3 1595 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,1,0,0,0|1,0,0]=3 1596 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,1,0,0,0|2,0,0]=4 1597 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,1,0,0,0|2,0,0]=4 1598 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,1,0,0,0|2,0,0]=4 1599 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,1,0,0,0|2,0,0]=4 1600 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,1,0,0,0|2,0,0]=4 1601 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,1,0,0,0|2,0,0]=4 1602 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,1,0,0,0|2,0,0]=4 1603 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,1,0,0,0|2,0,0]=4 1604 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,1,0,0,0|2,0,0]=4 1605 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,1,0,0,0|2,0,0]=4 1606 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,1,0,0,0|2,0,0]=4 1607 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,1,0,0,0|1,0,0]=3 1608 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,1,0,0,0|1,0,0]=3 1609 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,1,0,0,0|1,0,0]=3 1610 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,1,0,0,0|1,0,0]=3 1611 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,1,0,0,0|2,0,0]=4 1612 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,1,0,0,0|2,0,0]=4 1613 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,1,0,0,0|1,1,0]=4 1614 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,1,0,0,0|1,1,0]=4 1615 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,1,0,0,0|2,0,0]=4 1616 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,1,0,0,0|2,0,0]=4 1617 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,1,0,0,0|2,0,0]=4 1618 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,1,1,0,0,0|1,0,1]=4 1619 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,1,1,0,0,0|1,0,1]=4 1620 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,1,1,0,0,0|1,0,1]=4 1621 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 1622 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 1623 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 1624 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,1,0,0,0|2,0,0]=4 1625 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,1,0,0,0|2,0,0]=4 1626 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,1,0,0,0|1,0,0]=3 1627 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,1,0,0,0|1,1,0]=4 1628 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,1,0,0,0|1,1,0]=4 1629 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,1,1,0,0,0|2,0,0]=4 1630 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,1,1,0,0,0|2,0,0]=4 1631 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,1,0,0,0|2,0,0]=4 1632 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,1,0,0,0|2,0,0]=4 1633 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,1,0,0,0|1,0,0]=3 1634 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,1,0,0,0|1,0,0]=3 1635 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,1,0,0,0|1,1,0]=4 1636 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,1,0,0,0|1,1,0]=4 1637 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,1,0,0,0|1,1,0]=4 1638 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,1,0,0,0|1,1,0]=4 1639 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,1,1,0,0,0|2,0,0]=4 1640 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,1,1,0,0,0|2,0,0]=4 1641 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,1,0,0,0|2,0,0]=4 1642 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,1,0,0,0|2,0,0]=4 1643 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,1,0,0,0|2,0,0]=4 1644 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,1,0,0,0|2,0,0]=4 1645 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,1,0,0,0|2,0,0]=4 1646 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,1,0,0,0|1,0,0]=3 1647 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,1,0,0,0|1,0,0]=3 1648 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,1,1,0,0,0|2,0,0]=4 1649 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,1,1,0,0,0|2,0,0]=4 1650 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,1,0,0,0|1,1,0]=4 1651 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,1,0,0,0|1,1,0]=4 1652 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,1,0,0,0|1,1,0]=4 1653 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,1,0,0,0|2,0,0]=4 1654 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,1,0,0,0|2,0,0]=4 1655 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,1,0,0,0|2,0,0]=4 1656 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,1,0,0,0|2,0,0]=4 1657 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,1,0,0,0|2,0,0]=4 1658 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,1,0,0,0|2,0,0]=4 1659 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,1,0,0,0|2,0,0]=4 1660 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,1,0,0,0|1,0,0]=3 1661 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,1,0,0,0|1,0,0]=3 1662 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,1,0,0,0|1,0,0]=3 1663 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,1,1,0,0,0|2,0,0]=4 1664 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,1,0,0,0|1,1,0]=4 1665 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,1,0,0,0|2,0,0]=4 1666 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,1,0,0,0|2,0,0]=4 1667 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,1,0,0,0|2,0,0]=4 1668 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,1,1,0,0,0|2,0,0]=4 1669 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,1,1,0,0,0|2,0,0]=4 1670 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,1,1,0,0,0|2,0,0]=4 1671 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,1,1,0,0,0|2,0,0]=4 1672 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,1,1,0,0,0|2,0,0]=4 1673 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,1,0,0,0|2,0,0]=4 1674 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,1,0,0,0|2,0,0]=4 1675 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,1,0,0,0|1,0,0]=3 1676 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,1,0,0,0|1,0,0]=3 1677 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,1,1,0,0,0|2,0,0]=4 1678 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,1,0,0,0|1,1,0]=4 1679 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,1,0,0,0|1,1,0]=4 1680 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,1,0,0,0|2,0,0]=4 1681 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,1,1,0,0,0|2,0,0]=4 1682 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,1,1,0,0,0|2,0,0]=4 1683 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,1,1,0,0,0|2,0,0]=4 1684 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,1,1,0,0,0|2,0,0]=4 1685 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,1,1,0,0,0|2,0,0]=4 1686 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,1,1,0,0,0|2,0,0]=4 1687 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,1,1,0,0,0|2,0,0]=4 1688 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,1,1,0,0,0|2,0,0]=4 1689 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,1,1,0,0,0|2,0,0]=4 1690 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,1,1,0,0,0|2,0,0]=4 1691 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,1,0,0,0|2,0,0]=4 1692 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,1,0,0,0|2,0,0]=4 1693 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,1,1,0,0,0|2,0,0]=4 1694 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,1,1,0,0,0|2,0,0]=4 1695 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,1,1,0,0,0|2,0,0]=4 1696 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,1,1,0,0,0|2,0,0]=4 1697 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,1,1,0,0,0|2,0,0]=4 1698 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,1,1,0,0,0|2,0,0]=4 1699 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,1,1,0,0,0|2,0,0]=4 1700 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,1,1,0,0,0|2,0,0]=4 1701 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,1,0,0,0|2,0,0]=4 1702 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,1,0,0,0|2,0,0]=4 1703 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,1,0,0,0|2,0,0]=4 1704 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,1,0,0,0|2,0,0]=4 1705 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,1,0,0,0|2,0,0]=4 1706 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,1,0,0,0|2,0,0]=4 1707 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,1,1,0,0,0|2,0,0]=4 1708 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [0,1,1,0,0,0|0,0,2]=4 1709 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [0,1,1,0,0,0|0,0,2]=4 1710 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,1,1,0,0,0|1,0,1]=4 1711 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,1,1,0,0,0|1,0,1]=4 1712 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,1,1,0,0,0|1,0,1]=4 1713 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,1,1,0,0,0|2,0,0]=4 1714 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,1,1,0,0,0|2,0,0]=4 1715 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,1,1,0,0,0|2,0,0]=4 1716 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,1,1,0,0,0|2,0,0]=4 1717 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,1,1,0,0,0|2,0,0]=4 1718 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,1,1,0,0,0|2,0,0]=4 1719 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,1,1,0,0,0|2,0,0]=4 1720 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,1,1,0,0,0|2,0,0]=4 1721 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,1,1,0,0,0|2,0,0]=4 1722 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,1,1,0,0,0|2,0,0]=4 1723 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,1,1,0,0,0|2,0,0]=4 1724 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,1,1,0,0,0|2,0,0]=4 1725 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,1,1,0,0,0|2,0,0]=4 1726 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,1,1,0,0,0|2,0,0]=4 1727 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,1,1,0,0,0|2,0,0]=4 1728 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,1,1,0,0,0|2,0,0]=4 1729 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,1,1,0,0,0|2,0,0]=4 1730 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,1,1,0,0,0|2,0,0]=4 1731 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,1,1,0,0,0|2,0,0]=4 1732 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,1,1,0,0,0|2,0,0]=4 1733 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,1,1,0,0,0|2,0,0]=4 1734 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,1,1,0,0,0|2,0,0]=4 1735 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,1,1,0,0,0|2,0,0]=4 1736 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,1,1,0,0,0|2,0,0]=4 1737 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,1,1,0,0,0|2,0,0]=4 1738 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,1,1,0,0,0|2,0,0]=4 1739 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [0,1,1,0,0,0|0,0,2]=4 1740 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [0,1,1,0,0,0|0,0,2]=4 1741 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,1,1,0,0,0|2,0,0]=4 1742 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,1,1,0,0,0|2,0,0]=4 1743 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,1,1,0,0,0|2,0,0]=4 1744 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,1,1,0,0,0|2,0,0]=4 1745 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,1,1,0,0,0|2,0,0]=4 1746 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,1,1,0,0,0|2,0,0]=4 1747 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,1,1,0,0,0|2,0,0]=4 1748 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,1,1,0,0,0|2,0,0]=4 1749 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,1,1,0,0,0|2,0,0]=4 1750 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,1,1,0,0,0|2,0,0]=4 1751 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,1,1,0,0,0|2,0,0]=4 1752 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,1,1,0,0,0|2,0,0]=4 1753 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,1,1,0,0,0|2,0,0]=4 1754 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,1,1,0,0,0|2,0,0]=4 1755 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,1,1,0,0,0|2,0,0]=4 1756 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,1,1,0,0,0|2,0,0]=4 1757 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,1,1,0,0,0|2,0,0]=4 1758 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,1,1,0,0,0|2,0,0]=4 1759 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,1,1,0,0,0|2,0,0]=4 1760 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,1,1,0,0,0|2,0,0]=4 1761 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,1,1,0,0,0|2,0,0]=4 1762 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,1,1,0,0,0|2,0,0]=4 1763 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,1,1,0,0,0|2,0,0]=4 1764 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,1,1,0,0,0|2,0,0]=4 1765 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,1,1,0,0,0|2,0,0]=4 1766 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,1,1,0,0,0|2,0,0]=4 1767 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,1,1,0,0,0|1,0,0]=3 1768 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,1,1,0,0,0|1,0,0]=3 1769 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,1,1,0,0,0|1,0,0]=3 1770 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,1,1,0,0,0|2,0,0]=4 1771 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,1,1,0,0,0|2,0,0]=4 1772 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,1,1,0,0,0|2,0,0]=4 1773 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,1,1,0,0,0|2,0,0]=4 1774 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,1,1,0,0,0|2,0,0]=4 1775 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,1,1,0,0,0|2,0,0]=4 1776 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,1,1,0,0,0|2,0,0]=4 1777 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,1,1,0,0,0|2,0,0]=4 1778 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,1,1,0,0,0|2,0,0]=4 1779 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,1,1,0,0,0|2,0,0]=4 1780 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,1,1,0,0,0|2,0,0]=4 1781 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,1,1,0,0,0|2,0,0]=4 1782 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,1,1,0,0,0|2,0,0]=4 1783 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,1,1,0,0,0|2,0,0]=4 1784 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,1,1,0,0,0|2,0,0]=4 1785 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,1,1,0,0,0|2,0,0]=4 1786 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,1,1,0,0,0|2,0,0]=4 1787 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,1,1,0,0,0|2,0,0]=4 1788 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,1,1,0,0,0|2,0,0]=4 1789 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,1,1,0,0,0|2,0,0]=4 1790 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,1,1,0,0,0|2,0,0]=4 1791 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,1,1,0,0,0|2,0,0]=4 1792 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,1,1,0,0,0|2,0,0]=4 1793 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,1,1,0,0,0|2,0,0]=4 1794 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,1,1,0,0,0|1,1,0]=4 1795 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,1,1,0,0,0|1,1,0]=4 1796 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,1,1,0,0,0|1,0,0]=3 1797 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,1,1,0,0,0|1,0,0]=3 1798 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [0,1,1,0,0,0|2,0,0]=4 1799 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [0,1,1,0,0,0|2,0,0]=4 1800 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,1,1,0,0,0|1,0,0]=3 1801 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,1,1,0,0,0|1,0,0]=3 1802 B9R0.45 C=COCCCNCCF 2230a_100000210767_100011217306 [0,1,1,0,0,0|2,0,0]=4 1803 B9R0.45 C=COCCCNCCF 34a_100000210767_100011217306 [0,1,1,0,0,0|2,0,0]=4 1804 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [0,1,1,0,0,0|2,0,0]=4 1805 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [0,1,1,0,0,0|2,0,0]=4 1806 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [0,1,1,0,0,0|2,0,0]=4 1807 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [0,1,1,0,0,0|2,0,0]=4 1808 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [0,1,1,0,0,0|2,0,0]=4 1809 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,1,1,0,0,0|1,0,0]=3 1810 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,1,1,0,0,0|1,0,0]=3 1811 B9R0.45 C=COCCNCCCF 2230a_100015189416_100000039644 [0,1,1,0,0,0|2,0,0]=4 1812 B9R0.45 C=COCCNCCCF 34a_100015189416_100000039644 [0,1,1,0,0,0|2,0,0]=4 1813 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [0,1,1,0,0,0|2,0,0]=4 1814 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [0,1,1,0,0,0|2,0,0]=4 1815 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [0,1,1,0,0,0|2,0,0]=4 1816 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,1,1,0,0,0|1,0,0]=3 1817 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,1,1,0,0,0|1,0,0]=3 1818 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,1,1,0,0,0|1,0,0]=3 1819 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [0,1,1,0,0,0|2,0,0]=4 1820 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [0,1,1,0,0,0|2,0,0]=4 1821 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [0,1,1,0,0,0|2,0,0]=4 1822 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [0,1,1,0,0,0|2,0,0]=4 1823 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,1,1,0,0,0|2,0,0]=4 1824 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [0,1,1,0,0,0|2,0,0]=4 1825 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [0,1,1,0,0,0|2,0,0]=4 1826 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [0,1,1,0,0,0|2,0,0]=4 1827 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [0,1,1,0,0,0|2,0,0]=4 1828 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [0,1,1,0,0,0|2,0,0]=4 1829 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [0,1,1,0,0,0|2,0,0]=4 1830 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,1,1,0,0,0|2,0,0]=4 1831 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,1,1,0,0,0|2,0,0]=4 1832 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,1,1,0,0,0|2,0,0]=4 1833 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,1,1,0,0,0|1,0,0]=3 1834 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,1,1,0,0,0|1,0,0]=3 1835 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [0,1,1,0,0,0|2,0,0]=4 1836 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [0,1,1,0,0,0|2,0,0]=4 1837 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,1,1,0,0,0|2,0,0]=4 1838 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,1,1,0,0,0|2,0,0]=4 1839 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [0,1,1,0,0,0|2,0,0]=4 1840 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [0,1,1,0,0,0|2,0,0]=4 1841 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [0,1,1,0,0,0|2,0,0]=4 1842 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [0,1,1,0,0,0|2,0,0]=4 1843 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [0,1,1,0,0,0|2,0,0]=4 1844 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [0,1,1,0,0,0|2,0,0]=4 1845 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,1,1,0,0,0|0,0,2]=4 1846 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,1,1,0,0,0|0,0,2]=4 1847 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [0,1,1,0,0,0|0,0,2]=4 1848 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,1,1,0,0,0|2,0,0]=4 1849 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,1,1,0,0,0|2,0,0]=4 1850 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,1,1,0,0,0|2,0,0]=4 1851 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,1,1,0,0,0|2,0,0]=4 1852 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,1,1,0,0,0|2,0,0]=4 1853 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,1,1,0,0,0|2,0,0]=4 1854 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [0,1,1,0,0,0|0,0,2]=4 1855 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [0,1,1,0,0,0|0,0,2]=4 1856 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,1,1,0,0,0|0,0,2]=4 1857 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,1,1,0,0,0|0,0,2]=4 1858 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [0,1,1,0,0,0|0,0,2]=4 1859 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [0,1,1,0,0,0|0,0,2]=4 1860 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,1,1,0,0,0|1,0,1]=4 1861 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,1,1,0,0,0|1,0,1]=4 1862 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,1,1,0,0,0|1,0,1]=4 1863 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,1,1,0,0,0|1,0,1]=4 1864 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,1,1,0,0,0|1,0,1]=4 1865 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,1,1,0,0,0|1,0,0]=3 1866 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,1,1,0,0,0|1,0,1]=4 1867 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,1,1,0,0,0|0,0,0]=2 1868 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,1,1,0,0,0|0,0,0]=2 1869 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,1,1,0,0,0|1,0,1]=4 1870 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,1,1,0,0,0|1,0,1]=4 1871 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,1,1,0,0,0|1,0,1]=4 1872 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,1,1,0,0,0|1,0,1]=4 1873 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,1,1,0,0,0|1,0,1]=4 1874 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,1,1,0,0,0|1,0,1]=4 1875 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,1,1,0,0,0|1,0,1]=4 1876 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,1,1,0,0,0|0,0,2]=4 1877 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,1,1,0,0,0|0,0,2]=4 1878 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,1,1,0,0,0|0,1,1]=4 1879 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,1,1,0,0,0|0,1,0]=3 1880 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,1,1,0,0,0|0,1,0]=3 1881 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,1,1,0,0,0|1,0,1]=4 1882 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,1,1,0,0,0|1,0,1]=4 1883 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,1,1,0,0,0|1,0,0]=3 1884 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,1,1,0,0,0|1,0,0]=3 1885 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,1,1,0,0,0|1,0,1]=4 1886 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,1,1,0,0,0|1,0,1]=4 1887 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,1,1,0,0,0|1,0,1]=4 1888 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,1,1,0,0,0|1,0,1]=4 1889 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,1,1,0,0,0|1,0,0]=3 1890 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,1,1,0,0,0|1,0,1]=4 1891 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,1,1,0,0,0|1,0,1]=4 1892 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,1,1,0,0,0|1,0,1]=4 1893 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,1,1,0,0,0|1,0,1]=4 1894 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,1,1,0,0,0|1,0,1]=4 1895 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,1,1,0,0,0|1,0,1]=4 1896 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,1,1,0,0,0|1,0,1]=4 1897 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,1,1,0,0,0|1,0,1]=4 1898 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,1,1,0,0,0|1,0,1]=4 1899 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,1,1,0,0,0|1,1,0]=4 1900 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,1,1,0,0,0|1,1,0]=4 1901 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,1,1,0,0,0|1,0,0]=3 1902 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,1,1,0,0,0|1,0,0]=3 1903 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,1,1,0,0,0|1,0,1]=4 1904 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,1,1,0,0,0|1,0,1]=4 1905 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,1,1,0,0,0|1,0,1]=4 1906 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,1,1,0,0,0|1,0,1]=4 1907 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,1,1,0,0,0|1,0,1]=4 1908 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,1,1,0,0,0|1,0,1]=4 1909 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,1,1,0,0,0|1,0,1]=4 1910 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,1,1,0,0,0|1,0,1]=4 1911 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,1,1,0,0,0|1,0,1]=4 1912 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,1,1,0,0,0|1,0,1]=4 1913 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,1,1,0,0,0|1,0,1]=4 1914 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,1,1,0,0,0|2,0,0]=4 1915 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,1,1,0,0,0|2,0,0]=4 1916 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,1,1,0,0,0|1,0,0]=3 1917 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,1,1,0,0,0|1,0,0]=3 1918 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,1,1,0,0,0|1,1,0]=4 1919 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,1,1,0,0,0|1,1,0]=4 1920 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,1,1,0,0,0|1,0,0]=3 1921 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,1,1,0,0,0|1,0,0]=3 1922 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,1,1,0,0,0|1,0,1]=4 1923 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,1,1,0,0,0|1,0,1]=4 1924 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,1,1,0,0,0|2,0,0]=4 1925 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,1,1,0,0,0|1,0,0]=3 1926 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,1,1,0,0,0|1,0,0]=3 1927 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,1,1,0,0,0|1,0,0]=3 1928 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,1,1,0,0,0|1,0,1]=4 1929 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,1,1,0,0,0|1,0,1]=4 1930 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,1,1,0,0,0|1,0,1]=4 1931 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,1,1,0,0,0|1,0,1]=4 1932 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,1,1,0,0,0|1,0,1]=4 1933 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,1,1,0,0,0|1,0,1]=4 1934 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,1,1,0,0,0|1,0,1]=4 1935 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,1,1,0,0,0|1,0,1]=4 1936 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,1,1,0,0,0|1,0,1]=4 1937 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,1,1,0,0,0|1,0,1]=4 1938 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,1,1,0,0,0|2,0,0]=4 1939 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,1,1,0,0,0|2,0,0]=4 1940 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,1,1,0,0,0|1,0,0]=3 1941 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,1,1,0,0,0|1,0,0]=3 1942 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,1,1,0,0,0|1,1,0]=4 1943 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,1,1,0,0,0|1,1,0]=4 1944 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,1,1,0,0,0|2,0,0]=4 1945 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,1,1,0,0,0|2,0,0]=4 1946 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,1,1,0,0,0|1,0,0]=3 1947 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,1,1,0,0,0|1,0,0]=3 1948 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,1,1,0,0,0|1,0,0]=3 1949 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,1,1,0,0,0|1,0,0]=3 1950 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,1,1,0,0,0|1,0,1]=4 1951 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,1,1,0,0,0|1,0,0]=3 1952 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,1,1,0,0,0|1,1,0]=4 1953 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,1,1,0,0,0|1,1,0]=4 1954 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,1,1,0,0,0|2,0,0]=4 1955 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,1,1,0,0,0|2,0,0]=4 1956 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,1,1,0,0,0|2,0,0]=4 1957 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,1,1,0,0,0|2,0,0]=4 1958 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,1,1,0,0,0|2,0,0]=4 1959 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,1,1,0,0,0|1,0,0]=3 1960 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,1,1,0,0,0|1,0,0]=3 1961 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,1,1,0,0,0|2,0,0]=4 1962 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,1,1,0,0,0|2,0,0]=4 1963 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,1,1,0,0,0|2,0,0]=4 1964 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,1,1,0,0,0|2,0,0]=4 1965 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,1,1,0,0,0|2,0,0]=4 1966 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,1,1,0,0,0|2,0,0]=4 1967 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,1,1,0,0,0|1,0,1]=4 1968 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,1,1,0,0,0|1,0,1]=4 1969 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,1,1,0,0,0|1,0,1]=4 1970 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,1,1,0,0,0|1,0,1]=4 1971 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,1,1,0,0,0|1,0,1]=4 1972 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,1,1,0,0,0|1,0,1]=4 1973 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,1,1,0,0,0|1,0,1]=4 1974 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,1,1,0,0,0|1,0,0]=3 1975 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [0,1,1,0,0,0|2,0,0]=4 1976 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,1,1,0,0,0|2,0,0]=4 1977 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,1,1,0,0,0|2,0,0]=4 1978 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,1,1,0,0,0|2,0,0]=4 1979 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,1,1,0,0,0|2,0,0]=4 1980 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,1,1,0,0,0|2,0,0]=4 1981 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,1,1,0,0,0|2,0,0]=4 1982 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,1,1,0,0,0|2,0,0]=4 1983 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,1,1,0,0,0|2,0,0]=4 1984 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,1,1,0,0,0|2,0,0]=4 1985 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,1,1,0,0,0|2,0,0]=4 1986 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,1,1,0,0,0|2,0,0]=4 1987 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,1,1,0,0,0|2,0,0]=4 1988 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,1,1,0,0,0|2,0,0]=4 1989 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,1,1,0,0,0|2,0,0]=4 1990 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,1,1,0,0,0|1,0,0]=3 1991 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,1,1,0,0,0|1,0,0]=3 1992 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,1,1,0,0,0|1,0,0]=3 1993 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,1,1,0,0,0|1,0,0]=3 1994 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,1,1,0,0,0|1,0,0]=3 1995 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,1,1,0,0,0|1,0,0]=3 1996 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [0,1,1,0,0,0|2,0,0]=4 1997 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [0,1,1,0,0,0|2,0,0]=4 1998 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [0,1,1,0,0,0|2,0,0]=4 1999 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [0,1,1,0,0,0|2,0,0]=4 2000 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [0,1,1,0,0,0|2,0,0]=4 2001 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [0,1,1,0,0,0|2,0,0]=4 2002 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [0,1,1,0,0,0|2,0,0]=4 2003 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [0,1,1,0,0,0|2,0,0]=4 2004 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,1,1,0,0,0|1,1,0]=4 2005 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,1,1,0,0,0|1,1,0]=4 2006 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,1,1,0,0,0|1,1,0]=4 2007 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,1,1,0,0,0|1,1,0]=4 2008 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,1,0,0,0|2,0,0]=4 2009 B9R0.46 C=COCCNC(C)CC 2230a_100000209981_100000039644 [0,1,1,0,0,0|2,0,0]=4 2010 B9R0.46 C=COCCOC(C)CC 34a_100000033082_100011215416 [0,1,1,0,0,0|2,0,0]=4 2011 B9R0.46 C=COCCOC(C)CC 7a_100000210228_100000039644 [0,1,1,0,0,0|2,0,0]=4 2012 B9R0.46 C=COCCSC(C)CC 62a_100000039644_100000758301 [0,1,1,0,0,0|2,0,0]=4 2013 B9R0.46 C=COCCSC(C)CC 62a_100000758301_100000039644 [0,1,1,0,0,0|2,0,0]=4 2014 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,1,1,0,0,0|1,0,1]=4 2015 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [0,1,1,0,0,0|2,0,0]=4 2016 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,1,1,0,0,0|2,0,0]=4 2017 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [0,1,1,0,0,0|2,0,0]=4 2018 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,1,1,0,0,0|2,0,0]=4 2019 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,1,1,0,0,0|2,0,0]=4 2020 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,1,1,0,0,0|2,0,0]=4 2021 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,1,1,0,0,0|2,0,0]=4 2022 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,1,1,0,0,0|2,0,0]=4 2023 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,1,0,0,0|1,0,1]=4 2024 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,1,1,0,0,0|2,0,0]=4 2025 B9R0.12 CCC(C)N(CC)CC=O 2230a_100000732650_200015260668 [0,1,1,0,0,0|2,0,0]=4 2026 B9R0.12 CCC(C)N(CC)CC=O 269982a_100000732650_200015260668 [0,1,1,0,0,0|2,0,0]=4 2027 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,1,1,0,0,0|2,0,0]=4 2028 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,1,1,0,0,0|2,0,0]=4 2029 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,1,1,0,0,0|2,0,0]=4 2030 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,1,1,0,0,0|2,0,0]=4 2031 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,1,1,0,0,0|1,0,0]=3 2032 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,1,1,0,0,0|1,0,0]=3 2033 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,1,1,0,0,0|1,0,0]=3 2034 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,1,1,0,0,0|1,0,0]=3 2035 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [0,1,1,0,0,0|1,0,1]=4 2036 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [0,1,1,0,0,0|1,0,1]=4 2037 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,1,1,0,0,0|2,0,0]=4 2038 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,1,1,0,0,0|2,0,0]=4 2039 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,1,1,0,0,0|2,0,0]=4 2040 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,1,1,0,0,0|2,0,0]=4 2041 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,1,1,0,0,0|2,0,0]=4 2042 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,1,1,0,0,0|2,0,0]=4 2043 B9R0.14 CCN(CC=O)CC(C)C 2230a_100000738554_200015260668 [0,1,1,0,0,0|2,0,0]=4 2044 B9R0.14 CCN(CC=O)CC(C)C 269982a_100000738554_200015260668 [0,1,1,0,0,0|2,0,0]=4 2045 B9R0.14 CCN(CC=O)C[C@H](C)O 2230a_100000729506_200015260668 [0,1,1,0,0,0|2,0,0]=4 2046 B9R0.14 CCN(CC=O)C[C@H](C)O 269982a_100000729506_200015260668 [0,1,1,0,0,0|2,0,0]=4 2047 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,1,1,0,0,0|2,0,0]=4 2048 B9R0.15 CCCC(OCC)C(C)C 34a_200011215069_100000210202 [0,1,1,0,0,0|1,0,1]=4 2049 B9R0.15 CCCC(OCC)C(C)C 7a_200011215069_100000210202 [0,1,1,0,0,0|1,0,1]=4 2050 B9R0.15 CCCC(OCF)C(C)C 34a_200011215069_100015361967 [0,1,1,0,0,0|1,0,1]=4 2051 B9R0.15 CCCC(OCF)C(C)C 7a_200011215069_100015361967 [0,1,1,0,0,0|1,0,1]=4 2052 B9R0.15 CCCN(CC=O)C(C)C 2230a_106256033942_200015260668 [0,1,1,0,0,0|2,0,0]=4 2053 B9R0.15 CCCN(CC=O)C(C)C 269982a_106256033942_200015260668 [0,1,1,0,0,0|2,0,0]=4 2054 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [0,1,1,0,0,0|2,0,0]=4 2055 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [0,1,1,0,0,0|2,0,0]=4 2056 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [0,1,1,0,0,0|2,0,0]=4 2057 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [0,1,1,0,0,0|2,0,0]=4 2058 B9R0.17 CCCC(CCC)OCC 34a_100121572206_200011218217 [0,1,1,0,0,0|1,0,1]=4 2059 B9R0.17 CCCC(CCC)OCC 34a_200011218534_100000210202 [0,1,1,0,0,0|1,0,1]=4 2060 B9R0.17 CCCC(CCC)OCC 7a_200011218534_100000210202 [0,1,1,0,0,0|1,0,1]=4 2061 B9R0.17 CCCC(CCC)OCF 34a_200011218534_100015361967 [0,1,1,0,0,0|1,0,1]=4 2062 B9R0.17 CCCC(CCC)OCF 7a_200011218534_100015361967 [0,1,1,0,0,0|1,0,1]=4 2063 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [0,1,1,0,0,0|2,0,0]=4 2064 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [0,1,1,0,0,0|2,0,0]=4 2065 B9R0.17 CCCN(CC=O)CCO 2230a_100000211420_200015260668 [0,1,1,0,0,0|2,0,0]=4 2066 B9R0.17 CCCN(CC=O)CCO 269982a_100000211420_200015260668 [0,1,1,0,0,0|2,0,0]=4 2067 B9R0.59 CCCC(C)(CC)OCC 7a_200011215934_100000210202 [0,1,1,0,0,0|1,0,1]=4 2068 B9R0.59 CCCC(C)(CC)OCF 7a_200011215934_100015361967 [0,1,1,0,0,0|1,0,1]=4 2069 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [1,1,0,0,0,0|0,0,1]=3 2070 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [1,1,0,0,0,0|0,0,1]=3 2071 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [1,1,0,0,0,0|0,1,1]=4 2072 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [1,1,0,0,0,0|1,0,1]=4 2073 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [1,1,0,0,0,0|1,0,1]=4 2074 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [1,1,0,0,0,0|1,0,1]=4 2075 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [1,1,0,0,0,0|1,0,1]=4 2076 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [1,1,0,0,0,0|1,0,1]=4 2077 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,1,0,0,0,0|0,0,2]=4 2078 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,1,0,0,0,0|0,0,2]=4 2079 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [1,1,0,0,0,0|0,0,1]=3 2080 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [1,1,0,0,0,0|0,0,1]=3 2081 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [1,1,0,0,0,0|0,0,1]=3 2082 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [1,1,0,0,0,0|1,0,1]=4 2083 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [1,1,0,0,0,0|1,0,1]=4 2084 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [1,1,0,0,0,0|1,0,1]=4 2085 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [1,1,0,0,0,0|1,0,1]=4 2086 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [1,1,0,0,0,0|1,0,1]=4 2087 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [1,1,0,0,0,0|1,0,1]=4 2088 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [1,1,0,0,0,0|0,0,1]=3 2089 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [1,1,0,0,0,0|0,1,1]=4 2090 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [1,1,0,0,0,0|1,0,1]=4 2091 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [1,1,0,0,0,0|1,0,1]=4 2092 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,1,0,0,0,0|0,0,2]=4 2093 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,1,0,0,0,0|0,0,2]=4 2094 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [1,1,0,0,0,0|0,0,1]=3 2095 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [1,1,0,0,0,0|1,0,1]=4 2096 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [1,1,0,0,0,0|1,0,1]=4 2097 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,1,0,0,0,0|1,0,1]=4 2098 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,1,0,0,0,0|1,0,1]=4 2099 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [1,1,0,0,0,0|0,0,1]=3 2100 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,1,0,0,0,0|1,0,1]=4 2101 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,1,0,0,0,0|1,0,1]=4 2102 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,1,0,0,0,0|1,0,1]=4 2103 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [1,1,0,0,0,0|1,0,1]=4 2104 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [1,1,0,0,0,0|1,0,1]=4 2105 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,1,0,0,0,0|0,0,2]=4 2106 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [1,1,0,0,0,0|0,0,1]=3 2107 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [1,1,0,0,0,0|1,0,1]=4 2108 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [1,1,0,0,0,0|1,0,1]=4 2109 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [1,1,0,0,0,0|1,0,1]=4 2110 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [1,1,0,0,0,0|1,0,1]=4 2111 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [1,1,0,0,0,0|1,0,1]=4 2112 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [1,1,0,0,0,0|1,0,1]=4 2113 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [1,1,0,0,0,0|1,0,1]=4 2114 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [1,1,0,0,0,0|1,0,1]=4 2115 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [1,1,0,0,0,0|1,0,1]=4 2116 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,1,0,0,0,0|0,0,2]=4 2117 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,1,0,0,0,0|0,0,2]=4 2118 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,1,0,0,0,0|0,0,2]=4 2119 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,1,0,0,0,0|0,0,0]=2 2120 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,1,0,0,0,0|0,0,0]=2 2121 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,1,0,0,0,0|1,0,0]=3 2122 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,1,0,0,0,0|1,0,0]=3 2123 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,1,0,0,0,0|1,0,0]=3 2124 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,1,0,0,0,0|1,0,0]=3 2125 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,1,0,0,0,0|1,0,0]=3 2126 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,1,0,0,0,0|1,0,0]=3 2127 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [1,1,0,0,0,0|2,0,0]=4 2128 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [1,1,0,0,0,0|2,0,0]=4 2129 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [1,1,0,0,0,0|2,0,0]=4 2130 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [1,1,0,0,0,0|2,0,0]=4 2131 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,1,0,0,0,0|2,0,0]=4 2132 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,1,0,0,0,0|2,0,0]=4 2133 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,1,0,0,0,0|2,0,0]=4 2134 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,1,0,0,0,0|2,0,0]=4 2135 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [1,1,0,0,0,0|2,0,0]=4 2136 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [1,1,0,0,0,0|2,0,0]=4 2137 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [1,1,0,0,0,0|2,0,0]=4 2138 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,1,0,0,0,0|0,0,2]=4 2139 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [1,1,0,0,0,0|1,0,1]=4 2140 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [1,1,0,0,0,0|1,0,1]=4 2141 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [1,1,0,0,0,0|1,0,1]=4 2142 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [1,1,0,0,0,0|1,0,1]=4 2143 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [1,1,0,0,0,0|1,0,1]=4 2144 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [1,1,0,0,0,0|1,0,1]=4 2145 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [1,1,0,0,0,0|1,0,1]=4 2146 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [1,1,0,0,0,0|1,0,1]=4 2147 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,1,0,0,0,0|0,0,2]=4 2148 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,1,0,0,0,0|0,0,0]=2 2149 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,1,0,0,0,0|1,0,0]=3 2150 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,1,0,0,0,0|1,0,0]=3 2151 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,1,0,0,0,0|1,0,0]=3 2152 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,1,0,0,0,0|1,0,0]=3 2153 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [1,1,0,0,0,0|2,0,0]=4 2154 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [1,1,0,0,0,0|2,0,0]=4 2155 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,1,0,0,0,0|0,0,2]=4 2156 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,1,0,0,0,0|1,0,1]=4 2157 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,1,0,0,0,0|1,0,1]=4 2158 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,1,0,0,0,0|0,0,1]=3 2159 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,1,0,0,0,0|0,0,1]=3 2160 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [1,1,0,0,0,0|1,0,1]=4 2161 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [1,1,0,0,0,0|1,0,1]=4 2162 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,1,0,0,0,0|1,0,1]=4 2163 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,1,0,0,0,0|1,0,1]=4 2164 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,1,0,0,0,0|1,0,1]=4 2165 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,1,0,0,0,0|1,0,1]=4 2166 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,1,0,0,0,0|1,0,1]=4 2167 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,1,0,0,0,0|1,0,1]=4 2168 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,1,0,0,0,0|1,0,1]=4 2169 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,1,0,0,0,0|1,0,1]=4 2170 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,1,0,0,0,0|0,0,2]=4 2171 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,1,0,0,0,0|0,0,2]=4 2172 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,1,0,0,0,0|0,0,1]=3 2173 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,1,0,0,0,0|0,0,1]=3 2174 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,1,0,0,0,0|0,0,1]=3 2175 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,1,0,0,0,0|0,0,1]=3 2176 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,1,0,0,0,0|0,0,1]=3 2177 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,1,0,0,0,0|0,0,1]=3 2178 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [1,1,0,0,0,0|1,0,1]=4 2179 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [1,1,0,0,0,0|1,0,1]=4 2180 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,1,0,0,0,0|0,0,1]=3 2181 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,1,0,0,0,0|0,0,1]=3 2182 B9R1.15 CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200000210301 [1,1,0,0,0,0|1,0,1]=4 2183 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,1,0,0,0,0|0,0,1]=3 2184 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [1,1,0,0,0,0|1,0,1]=4 2185 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [1,1,0,0,0,0|1,0,1]=4 2186 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,1,0,0,0,0|0,1,1]=4 2187 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,1,0,0,0,0|0,1,1]=4 2188 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,1,0,0,0,0|0,1,1]=4 2189 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,1,0,0,0,0|0,1,1]=4 2190 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,1,0,0,0,0|1,0,1]=4 2191 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,1,0,0,0,0|1,0,1]=4 2192 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,1,0,0,0,0|0,0,2]=4 2193 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,1,0,0,0,0|0,0,1]=3 2194 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,1,0,0,0,0|0,0,1]=3 2195 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,1,0,0,0,0|0,0,1]=3 2196 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,1,0,0,0,0|0,0,1]=3 2197 B9R1.15 [13CH3]O[C@@H]1CCNC[C@@H]1F 34a_200016994291_200025704644 [1,1,0,0,0,0|1,0,1]=4 2198 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,1,0,0,0,0|0,0,1]=3 2199 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [1,1,0,0,0,0|1,0,1]=4 2200 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [1,1,0,0,0,0|1,0,1]=4 2201 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,1,0,0,0,0|0,1,1]=4 2202 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,1,0,0,0,0|0,1,1]=4 2203 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,1,0,0,0,0|0,1,1]=4 2204 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,1,0,0,0,0|0,1,1]=4 2205 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [1,1,0,0,0,0|1,0,1]=4 2206 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [1,1,0,0,0,0|1,0,1]=4 2207 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [1,1,0,0,0,0|0,0,1]=3 2208 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [1,1,0,0,0,0|0,0,1]=3 2209 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [1,1,0,0,0,0|1,0,1]=4 2210 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [1,1,0,0,0,0|1,0,1]=4 2211 B9R1.118 CC1(CCSCC1)O[13CH3] 34a_200011004327_200025704644 [1,1,0,0,0,0|1,0,1]=4 2212 B9R1.118 CC1(CCSCC1)O[13CH3] 7a_200011004327_200025704644 [1,1,0,0,0,0|1,0,1]=4 2213 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [1,1,0,0,0,0|1,0,1]=4 2214 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [1,1,0,0,0,0|1,0,1]=4 2215 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [1,1,0,0,0,0|0,0,1]=3 2216 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [1,1,0,0,0,0|0,0,1]=3 2217 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [1,1,0,0,0,0|1,0,1]=4 2218 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [1,1,0,0,0,0|1,0,1]=4 2219 B9R1.118 COC1(CCSCC1)C 34a_200011004327_200000210301 [1,1,0,0,0,0|1,0,1]=4 2220 B9R1.118 COC1(CCSCC1)C 7a_200011004327_200000210301 [1,1,0,0,0,0|1,0,1]=4 2221 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,1,0,0,1,0|1,0,1]=4 2222 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,0,1,0|1,0,1]=4 2223 B9R1.7 C[C@@H]1CCN(C1)CC=O 2230a_100016987628_200015260668 [0,1,0,0,1,0|2,0,0]=4 2224 B9R1.7 C[C@@H]1CCN(C1)CC=O 269982a_100016987628_200015260668 [0,1,0,0,1,0|2,0,0]=4 2225 B9R1.7 C[C@@H]1CCN(C1)CC=O 34a_100016987628_200009817547 [0,1,0,0,1,0|2,0,0]=4 2226 B9R1.7 O=CCN1CCC(C1)O 2230a_100011215560_200015260668 [0,1,0,0,1,0|2,0,0]=4 2227 B9R1.7 O=CCN1CCC(C1)O 269982a_100011215560_200015260668 [0,1,0,0,1,0|2,0,0]=4 2228 B9R1.7 O=CCN1CC[C@@H](C1)F 2230a_100015203821_200015260668 [0,1,0,0,1,0|2,0,0]=4 2229 B9R1.7 O=CCN1CC[C@@H](C1)F 269982a_100015203821_200015260668 [0,1,0,0,1,0|2,0,0]=4 2230 B9R1.7 O=CCN1CC[C@@H](C1)F 34a_100015203821_200009817547 [0,1,0,0,1,0|2,0,0]=4 2231 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,0,1,0|2,0,0]=4 2232 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,1,0,0,1,0|1,0,1]=4 2233 B9R1.12 C#CCOC1CCCC1 34a_100000210247_100000179811 [0,1,0,0,1,0|1,0,1]=4 2234 B9R1.12 C#CCOC1CCCC1 34a_100000210269_100000184674 [0,1,0,0,1,0|1,0,1]=4 2235 B9R1.12 C#CCOC1CCCC1 7a_100000210269_100000038162 [0,1,0,0,1,0|1,0,1]=4 2236 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [0,1,0,0,1,0|2,0,0]=4 2237 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [0,1,0,0,1,0|2,0,0]=4 2238 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [0,1,0,0,1,0|2,0,0]=4 2239 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [0,1,0,0,1,0|2,0,0]=4 2240 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [0,1,0,0,1,0|1,0,0]=3 2241 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [0,1,0,0,1,0|1,0,0]=3 2242 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [0,1,0,0,1,0|1,0,0]=3 2243 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [0,1,0,0,1,0|2,0,0]=4 2244 B9R1.12 C=CCOC1CCOC1 34a_200000210373_100000690089 [0,1,0,0,1,0|2,0,0]=4 2245 B9R1.12 C=CCOC1CCSC1 7a_100011232664_100015514636 [0,1,0,0,1,0|2,0,0]=4 2246 B9R1.12 C=CCO[C@H]1CCOC1 34a_100000717292_100015514636 [0,1,0,0,1,0|2,0,0]=4 2247 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [0,1,0,0,1,0|1,1,0]=4 2248 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [0,1,0,0,1,0|1,1,0]=4 2249 B9R1.12 CC=NNC1CCCC1 4a_100000737850_200000210099 [0,1,0,0,1,0|2,0,0]=4 2250 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,1,0,0,1,0|1,0,1]=4 2251 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,1,0,0,1,0|1,0,1]=4 2252 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,1,0,0,1,0|1,0,1]=4 2253 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,1,0,0,1,0|1,0,1]=4 2254 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,1,0,0,1,0|1,0,1]=4 2255 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,1,0,0,1,0|1,0,1]=4 2256 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [0,1,0,0,1,0|0,1,1]=4 2257 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,1,0,0,1,0|1,0,1]=4 2258 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,1,0,0,1,0|1,0,1]=4 2259 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [0,1,0,0,1,0|1,0,1]=4 2260 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [0,1,0,0,1,0|1,0,1]=4 2261 B9R1.12 N#CCOC1CCCC1 7a_100000210269_100011215382 [0,1,0,0,1,0|1,0,1]=4 2262 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,1,0,0,1,0|1,0,1]=4 2263 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [0,1,0,0,1,0|1,0,0]=3 2264 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [0,1,0,0,1,0|1,0,0]=3 2265 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [0,1,0,0,1,0|2,0,0]=4 2266 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [0,1,0,0,1,0|2,0,0]=4 2267 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [0,1,0,0,1,0|2,0,0]=4 2268 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [0,1,0,0,1,0|0,0,0]=2 2269 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [0,1,0,0,1,0|0,0,0]=2 2270 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [0,1,0,0,1,0|1,0,0]=3 2271 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [0,1,0,0,1,0|1,0,0]=3 2272 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [0,1,0,0,1,0|1,0,0]=3 2273 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [0,1,0,0,1,0|0,1,0]=3 2274 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [0,1,0,0,1,0|0,1,0]=3 2275 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [0,1,0,0,1,0|1,1,0]=4 2276 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,1,0,0,1,0|0,0,2]=4 2277 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,1,0,0,1,0|0,0,2]=4 2278 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,1,0,0,1,0|1,0,1]=4 2279 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,1,0,0,1,0|1,0,0]=3 2280 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,1,0,0,1,0|1,0,0]=3 2281 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,1,0,0,1,0|2,0,0]=4 2282 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,1,0,0,1,0|2,0,0]=4 2283 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,1,0,0,1,0|2,0,0]=4 2284 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,1,0,0,1,0|2,0,0]=4 2285 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,1,0,0,1,0|1,0,0]=3 2286 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,1,0,0,1,0|1,0,0]=3 2287 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,1,0,0,1,0|1,0,0]=3 2288 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,1,0,0,1,0|1,0,0]=3 2289 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,1,0,0,1,0|2,0,0]=4 2290 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,1,0,0,1,0|2,0,0]=4 2291 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,1,0,0,1,0|2,0,0]=4 2292 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,1,0,0,1,0|2,0,0]=4 2293 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,1,0,0,1,0|2,0,0]=4 2294 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,1,0,0,1,0|2,0,0]=4 2295 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,1,0,0,1,0|1,0,1]=4 2296 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,1,0,0,1,0|1,0,1]=4 2297 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,1,0,0,1,0|1,0,1]=4 2298 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,1,0,0,1,0|2,0,0]=4 2299 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,1,0,0,1,0|2,0,0]=4 2300 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,1,0,0,1,0|2,0,0]=4 2301 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,1,0,0,1,0|1,0,1]=4 2302 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,1,0,0,1,0|1,0,0]=3 2303 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,1,0,0,1,0|2,0,0]=4 2304 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,1,0,0,1,0|2,0,0]=4 2305 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,1,0,0,1,0|1,0,1]=4 2306 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,1,0,0,1,0|1,0,1]=4 2307 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,1,0,0,1,0|1,0,1]=4 2308 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,1,0,0,1,0|1,0,1]=4 2309 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,1,0,0,1,0|1,0,1]=4 2310 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,1,0,0,1,0|1,0,1]=4 2311 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [0,1,0,0,1,0|2,0,0]=4 2312 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [0,1,0,0,1,0|2,0,0]=4 2313 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [0,1,0,0,1,0|2,0,0]=4 2314 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [0,1,0,0,1,0|2,0,0]=4 2315 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [0,1,0,0,1,0|2,0,0]=4 2316 B9R1.33 FCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015361967 [0,1,0,0,1,0|1,0,1]=4 2317 B9R1.33 N[C@H]1CCC[C@@H]1OCF 34a_100000748460_100015361967 [0,1,0,0,1,0|1,0,1]=4 2318 B9R1.134 CC1(CCCC1)OCF 34a_100000751722_100015361967 [0,1,0,0,1,0|1,0,1]=4 2319 B9R1.134 CC1(CCCC1)OCF 7a_100000751722_100015361967 [0,1,0,0,1,0|1,0,1]=4 2320 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,1,0,0,1,0|1,0,1]=4 2321 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,1,0,0,1,0|1,0,1]=4 2322 B11R1.110 O=CCN1CCCCC(C1)O 2230a_100025706797_200015260668 [0,1,0,0,0,1|2,0,0]=4 2323 B11R1.110 O=CCN1CCCCC(C1)O 269982a_100025706797_200015260668 [0,1,0,0,0,1|2,0,0]=4 2324 B11R1.110 O=CCN1CCOC[C@@H](C1)O 2230a_100016073750_200015260668 [0,1,0,0,0,1|2,0,0]=4 2325 B11R1.110 O=CCN1CCOC[C@@H](C1)O 269982a_100016073750_200015260668 [0,1,0,0,0,1|2,0,0]=4 2326 B11R1.135 CC1CCCN(CC1)CC=O 2230a_100025706717_200015260668 [0,1,0,0,0,1|2,0,0]=4 2327 B11R1.135 CC1CCCN(CC1)CC=O 269982a_100025706717_200015260668 [0,1,0,0,0,1|2,0,0]=4 2328 B11R1.135 CC1CCCN(CC1)CC=O 34a_100025706717_200009817547 [0,1,0,0,0,1|2,0,0]=4 2329 B11R1.135 CN1CCCN(CC1)CC=O 2230a_100000211313_200015260668 [0,1,0,0,0,1|2,0,0]=4 2330 B11R1.135 CN1CCCN(CC1)CC=O 269982a_100000211313_200015260668 [0,1,0,0,0,1|2,0,0]=4 2331 B11R1.135 O=CCN1CCCC(CC1)O 2230a_100015186869_200015260668 [0,1,0,0,0,1|2,0,0]=4 2332 B11R1.135 O=CCN1CCCC(CC1)O 269982a_100015186869_200015260668 [0,1,0,0,0,1|2,0,0]=4 2333 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [0,1,0,0,0,1|1,0,1]=4 2334 B11R1.203 C#CCOC1CCCCCC1 34a_100000210247_100011217769 [0,1,0,0,0,1|1,0,1]=4 2335 B11R1.203 C#CCOC1CCCCCC1 34a_100000210887_100000184674 [0,1,0,0,0,1|1,0,1]=4 2336 B11R1.203 C#CCOC1CCCCCC1 7a_100000210887_100000038162 [0,1,0,0,0,1|1,0,1]=4 2337 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [0,1,0,0,0,1|2,0,0]=4 2338 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [0,1,0,0,0,1|2,0,0]=4 2339 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [0,1,0,0,0,1|2,0,0]=4 2340 B11R1.203 C=CCNC1CCCNCC1 270004a_100020586998_100015187895 [0,1,0,0,0,1|2,0,0]=4 2341 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [0,1,0,0,0,1|1,0,0]=3 2342 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [0,1,0,0,0,1|1,0,0]=3 2343 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [0,1,0,0,0,1|1,0,0]=3 2344 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [0,1,0,0,0,1|1,1,0]=4 2345 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [0,1,0,0,0,1|1,1,0]=4 2346 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [0,1,0,0,0,1|1,0,1]=4 2347 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [0,1,0,0,0,1|1,0,1]=4 2348 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [0,1,0,0,0,1|1,0,1]=4 2349 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [0,1,0,0,0,1|1,0,1]=4 2350 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [0,1,0,0,0,1|1,0,1]=4 2351 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [0,1,0,0,0,1|1,0,1]=4 2352 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [0,1,0,0,0,1|0,1,1]=4 2353 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [0,1,0,0,0,1|1,0,1]=4 2354 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [0,1,0,0,0,1|1,0,1]=4 2355 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [0,1,0,0,0,1|1,0,1]=4 2356 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [0,1,0,0,0,1|1,0,1]=4 2357 B11R1.203 N#CCOC1CCCCCC1 7a_100000210887_100011215382 [0,1,0,0,0,1|1,0,1]=4 2358 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [0,1,0,0,0,1|1,0,1]=4 2359 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,1,0,0,0,1|1,0,0]=3 2360 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,1,0,0,0,1|1,0,0]=3 2361 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,1,0,0,0,1|0,0,0]=2 2362 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,1,0,0,0,1|0,0,0]=2 2363 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,1,0,0,0,1|0,1,0]=3 2364 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,1,0,0,0,1|0,1,0]=3 2365 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,1,0,0,0,1|0,0,2]=4 2366 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,1,0,0,0,1|0,0,2]=4 2367 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,1,0,0,0,1|1,0,1]=4 2368 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,0,0,1|1,0,0]=3 2369 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,0,0,1|1,0,0]=3 2370 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,1,0,0,0,1|2,0,0]=4 2371 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,1,0,0,0,1|1,0,0]=3 2372 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,1,0,0,0,1|1,0,0]=3 2373 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,1,0,0,0,1|1,0,0]=3 2374 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,1,0,0,0,1|1,0,0]=3 2375 B11R1.742 CC(C)OC1CCCCCC1 34a_100000210887_100000210206 [0,1,0,0,0,1|1,0,1]=4 2376 B11R1.742 CC(C)OC1CCCCCC1 34a_100000212225_100011217769 [0,1,0,0,0,1|1,0,1]=4 2377 B11R1.742 CC(C)OC1CCCCCC1 7a_100000210887_100000210206 [0,1,0,0,0,1|1,0,1]=4 2378 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,1,0,0,0,1|2,0,0]=4 2379 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,1,0,0,0,1|2,0,0]=4 2380 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,1,0,0,0,1|2,0,0]=4 2381 B11R1.742 NC(=O)CN1CCCOCC1 2230a_100000685342_100000747473 [0,1,0,0,0,1|2,0,0]=4 2382 B11R1.742 NC(=O)CN1CCCOCC1 269982a_100000685342_100000187820 [0,1,0,0,0,1|2,0,0]=4 2383 B11R1.742 NC(=O)CN1CCCOCC1 34a_100000685342_100000187820 [0,1,0,0,0,1|2,0,0]=4 2384 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,1,0,0,0,1|2,0,0]=4 2385 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,1,0,0,0,1|2,0,0]=4 2386 B11R1.742 O=C([O-])CN1CCCOCC1 269982a_100000685342_100020667443 [0,1,0,0,0,1|2,0,0]=4 2387 B11R1.742 O=C([O-])CN1CCCOCC1 34a_100000685342_100020667443 [0,1,0,0,0,1|2,0,0]=4 2388 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,1,0,0,0,1|1,0,1]=4 2389 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,0,0,1|1,0,0]=3 2390 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,1,0,0,0,1|2,0,0]=4 2391 B11R1.779 CC1(CCCCCC1)OCF 34a_100000708895_100015361967 [0,1,0,0,0,1|1,0,1]=4 2392 B11R1.779 CC1(CCCCCC1)OCF 7a_100000708895_100015361967 [0,1,0,0,0,1|1,0,1]=4 2393 B11R1.779 CC1(CCCNCC1)OCF 34a_100000723723_100015361967 [0,1,0,0,0,1|1,0,1]=4 2394 B11R1.779 CCOC1(CCCCCC1)C 34a_100000708895_100000210202 [0,1,0,0,0,1|1,0,1]=4 2395 B11R1.779 CCOC1(CCCCCC1)C 7a_100000708895_100000210202 [0,1,0,0,0,1|1,0,1]=4 2396 B11R1.779 CCOC1(CCCNCC1)C 34a_100000723723_100000210202 [0,1,0,0,0,1|1,0,1]=4 2397 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,0,0,1|2,0,0]=4 2398 B11R1.1 C#CCOC1CCC(CC1)C 34a_100000210247_200011216234 [0,2,0,0,0,0|1,0,1]=4 2399 B11R1.1 C#CCOC1CCC(CC1)C 34a_100000210714_100000184674 [0,2,0,0,0,0|1,0,1]=4 2400 B11R1.1 C#CCOC1CCC(CC1)C 7a_100000210714_100000038162 [0,2,0,0,0,0|1,0,1]=4 2401 B11R1.1 C#CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000184674 [0,2,0,0,0,0|1,0,1]=4 2402 B11R1.1 C=CCNC1CCC(CC1)C 270004a_100020586998_100000185489 [0,2,0,0,0,0|2,0,0]=4 2403 B11R1.1 C=CCNC1CCC(CC1)O 270004a_100020586998_100000764474 [0,2,0,0,0,0|2,0,0]=4 2404 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210623 [0,2,0,0,0,0|2,0,0]=4 2405 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100015514636 [0,2,0,0,0,0|2,0,0]=4 2406 B11R1.1 C=CCOC1CCC(=O)CC1 34a_100000764474_100015514636 [0,2,0,0,0,0|1,0,1]=4 2407 B11R1.1 C=CCOC1CCC(=O)CC1 7a_100000764474_100015514636 [0,2,0,0,0,0|1,0,1]=4 2408 B11R1.1 C=CCOC1CCC(CC1)C 34a_100000210714_100015514636 [0,2,0,0,0,0|1,0,0]=3 2409 B11R1.1 C=CCOC1CCC(CC1)C 34a_200000210373_200011216234 [0,2,0,0,0,0|1,0,0]=3 2410 B11R1.1 C=CCOC1CCC(CC1)C 7a_100000210714_100015514636 [0,2,0,0,0,0|1,0,0]=3 2411 B11R1.1 C=CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100015514636 [0,2,0,0,0,0|1,0,0]=3 2412 B11R1.1 C=CCSC1CCC(CC1)C 62a_100000210623_200011216234 [0,2,0,0,0,0|1,1,0]=4 2413 B11R1.1 CC1CCC(CC1)COCF 34a_100000701341_100015361967 [0,2,0,0,0,0|1,0,1]=4 2414 B11R1.1 CC1CCC(CC1)OCC#N 7a_100000210714_100011215382 [0,2,0,0,0,0|1,0,1]=4 2415 B11R1.1 CC1CCC(CC1)OCC=O 34a_100000210714_200009817547 [0,2,0,0,0,0|0,0,0]=2 2416 B11R1.1 CC1CCC(CC1)OCC=O 7a_100000210714_200015260668 [0,2,0,0,0,0|0,0,0]=2 2417 B11R1.1 CC1CCC(CC1)OCCBr 34a_100000211926_200011216234 [0,2,0,0,0,0|1,0,1]=4 2418 B11R1.1 CC1CCC(CC1)OCCF 34a_100000210714_100011217306 [0,2,0,0,0,0|1,0,1]=4 2419 B11R1.1 CC1CCC(CC1)OCCF 7a_100000210714_100011217306 [0,2,0,0,0,0|1,0,1]=4 2420 B11R1.1 CC1CCC(CC1)OCCN 34a_100000210304_200011216234 [0,2,0,0,0,0|1,0,1]=4 2421 B11R1.1 CC1CCC(CC1)OCCO 34a_100000210714_100000211926 [0,2,0,0,0,0|0,0,2]=4 2422 B11R1.1 CC1CCC(CC1)OCCO 7a_100000210714_100000211926 [0,2,0,0,0,0|0,0,2]=4 2423 B11R1.1 CC1CCC(CC1)SCC=O 62a_200015260668_200011216234 [0,2,0,0,0,0|0,1,0]=3 2424 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,2,0,0,0,0|1,0,1]=4 2425 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,2,0,0,0,0|1,0,1]=4 2426 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,2,0,0,0,0|1,0,1]=4 2427 B11R1.1 CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210303 [0,2,0,0,0,0|1,0,1]=4 2428 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,2,0,0,0,0|1,0,1]=4 2429 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [0,2,0,0,0,0|1,0,1]=4 2430 B11R1.1 CN1CCC(CC1)SCC=O 62a_200015260668_100011215917 [0,2,0,0,0,0|1,1,0]=4 2431 B11R1.1 CSCOC1CCC(CC1)C 34a_100000210714_100011218213 [0,2,0,0,0,0|0,1,1]=4 2432 B11R1.1 CSCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011218213 [0,2,0,0,0,0|0,1,1]=4 2433 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 2230a_100020625639_200015260668 [0,2,0,0,0,0|1,0,0]=3 2434 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 34a_100020625639_200009817547 [0,2,0,0,0,0|1,0,0]=3 2435 B11R1.1 N[C@H]1CC[C@@H](CC1)COCF 34a_100009821084_100015361967 [0,2,0,0,0,0|1,0,1]=4 2436 B11R1.1 N[C@H]1CC[C@H](CC1)OCC=O 34a_100020628982_200009817547 [0,2,0,0,0,0|0,0,0]=2 2437 B11R1.1 N[C@H]1CC[C@H](CC1)OCCF 34a_100020628982_100011217306 [0,2,0,0,0,0|1,0,1]=4 2438 B11R1.1 N[C@H]1CC[C@H](CC1)OCCO 34a_100020628982_100000211926 [0,2,0,0,0,0|0,0,2]=4 2439 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [0,2,0,0,0,0|0,0,1]=3 2440 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [0,2,0,0,0,0|0,0,1]=3 2441 B11R1.1 O=CCOC1CCC(=O)NC1 34a_100000079199_200009817547 [0,2,0,0,0,0|1,0,1]=4 2442 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,2,0,0,0,0|1,0,1]=4 2443 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,2,0,0,0,0|1,0,0]=3 2444 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,2,0,0,0,0|1,0,0]=3 2445 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,2,0,0,0,0|2,0,0]=4 2446 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,2,0,0,0,0|2,0,0]=4 2447 B11R1.20 CC(=O)NC1CCN(CC1)C 11a_100000198570_100015343762 [0,2,0,0,0,0|2,0,0]=4 2448 B11R1.20 CC(=O)NC1CCN(CC1)C 2230a_100000747453_200000210301 [0,2,0,0,0,0|2,0,0]=4 2449 B11R1.20 CC(=O)NC1CCN(CC1)C 240690a_100000198570_100015343762 [0,2,0,0,0,0|2,0,0]=4 2450 B11R1.20 CC(=O)NC1CCN(CC1)C 269982a_100000747453_200000210301 [0,2,0,0,0,0|2,0,0]=4 2451 B11R1.20 CC(=O)NC1CCN(CC1)C 527a_100000198570_100103153847 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 2230a_100000747453_200025704644 [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 269982a_100000747453_200025704644 [0,2,0,0,0,0|2,0,0]=4 2454 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,2,0,0,0,0|1,0,0]=3 2455 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,2,0,0,0,0|1,0,0]=3 2456 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,2,0,0,0,0|1,0,0]=3 2457 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,2,0,0,0,0|1,0,0]=3 2458 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,2,0,0,0,0|1,0,0]=3 2459 B11R1.20 CC(C)O[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210206 [0,2,0,0,0,0|1,0,1]=4 2460 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,2,0,0,0,0|1,0,1]=4 2461 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,2,0,0,0,0|1,0,0]=3 2462 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000210714_100000210206 [0,2,0,0,0,0|1,0,1]=4 2463 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000212225_200011216234 [0,2,0,0,0,0|1,0,1]=4 2464 B11R1.20 CC1CCC(CC1)OC(C)C 7a_100000210714_100000210206 [0,2,0,0,0,0|1,0,1]=4 2465 B11R1.20 CC1CCN(CC1)CC(=O)N 2230a_100000188429_100000747473 [0,2,0,0,0,0|2,0,0]=4 2466 B11R1.20 CC1CCN(CC1)CC(=O)N 269982a_100000188429_100000187820 [0,2,0,0,0,0|2,0,0]=4 2467 B11R1.20 CC1CCN(CC1)CC(=O)N 34a_100000188429_100000187820 [0,2,0,0,0,0|2,0,0]=4 2468 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,2,0,0,0,0|2,0,0]=4 2469 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 269982a_100000188429_100020667443 [0,2,0,0,0,0|2,0,0]=4 2470 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 34a_100000188429_100020667443 [0,2,0,0,0,0|2,0,0]=4 2471 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,2,0,0,0,0|2,0,0]=4 2472 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,2,0,0,0,0|2,0,0]=4 2473 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,2,0,0,0,0|2,0,0]=4 2474 B11R1.20 CN1CCC(CC1)NC(=O)N 2230a_100000751166_200000210301 [0,2,0,0,0,0|2,0,0]=4 2475 B11R1.20 NC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747473 [0,2,0,0,0,0|2,0,0]=4 2476 B11R1.20 NC(=O)CN1CCC(CC1)F 269982a_100015193889_100000187820 [0,2,0,0,0,0|2,0,0]=4 2477 B11R1.20 NC(=O)CN1CCC(CC1)F 34a_100015193889_100000187820 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.20 NC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747473 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.20 NC(=O)CN1CCC(CC1)O 269982a_100025773856_100000187820 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.20 O=C([O-])CN1CCC(CC1)F 269982a_100015193889_100020667443 [0,2,0,0,0,0|2,0,0]=4 2481 B11R1.20 O=C([O-])CN1CCC(CC1)F 34a_100015193889_100020667443 [0,2,0,0,0,0|2,0,0]=4 2482 B11R1.20 O=C([O-])CN1CCC(CC1)O 269982a_100025773856_100020667443 [0,2,0,0,0,0|2,0,0]=4 2483 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,2,0,0,0,0|1,0,0]=3 2484 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,2,0,0,0,0|2,0,0]=4 2485 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,2,0,0,0,0|2,0,0]=4 2486 B11R1.20 [13CH3]N1CCC(CC1)NC(=O)N 2230a_100000751166_200025704644 [0,2,0,0,0,0|2,0,0]=4 2487 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [0,2,0,0,0,0|2,0,0]=4 2488 B11R1.81 CC1CCC(C(C1)C)OCF 34a_100011539931_100015361967 [0,2,0,0,0,0|1,0,1]=4 2489 B11R1.81 CC1CCC(C(C1)C)OCF 7a_100011539931_100015361967 [0,2,0,0,0,0|1,0,1]=4 2490 B11R1.81 CCOC1CCC(CC1C)C 34a_100011539931_100000210202 [0,2,0,0,0,0|1,0,1]=4 2491 B11R1.81 CCOC1CCC(CC1C)C 7a_100011539931_100000210202 [0,2,0,0,0,0|1,0,1]=4 2492 B11R1.82 CC1(CCC(CC1)OCF)C 34a_100000703974_100015361967 [0,2,0,0,0,0|1,0,1]=4 2493 B11R1.82 CC1(CCC(CC1)OCF)C 7a_100000703974_100015361967 [0,2,0,0,0,0|1,0,1]=4 2494 B11R1.82 CC1(CCN(CC1)CC=O)C 2230a_100000750138_200015260668 [0,2,0,0,0,0|2,0,0]=4 2495 B11R1.82 CC1(CCN(CC1)CC=O)C 269982a_100000750138_200015260668 [0,2,0,0,0,0|2,0,0]=4 2496 B11R1.82 CC1(CCN(CC1)CC=O)O 2230a_100000690209_200015260668 [0,2,0,0,0,0|2,0,0]=4 2497 B11R1.82 CC1(CCN(CC1)CC=O)O 269982a_100000690209_200015260668 [0,2,0,0,0,0|2,0,0]=4 2498 B11R1.82 CCOC1CCC(CC1)(C)C 34a_100000703974_100000210202 [0,2,0,0,0,0|1,0,1]=4 2499 B11R1.82 CCOC1CCC(CC1)(C)C 7a_100000703974_100000210202 [0,2,0,0,0,0|1,0,1]=4 2500 B11R1.82 CCOC1CCC(CC1)(F)F 34a_100000098475_100000210202 [0,2,0,0,0,0|1,0,1]=4 2501 B11R1.82 CCOC1CCC(CC1)(F)F 34a_100121572206_100009865109 [0,2,0,0,0,0|1,0,1]=4 2502 B11R1.82 CCOC1CCC(CC1)(F)F 7a_100000098475_100000210202 [0,2,0,0,0,0|1,0,1]=4 2503 B11R1.82 FCOC1CCC(CC1)(F)F 34a_100000098475_100015361967 [0,2,0,0,0,0|1,0,1]=4 2504 B11R1.82 FCOC1CCC(CC1)(F)F 7a_100000098475_100015361967 [0,2,0,0,0,0|1,0,1]=4 2505 B11R1.82 O=CCN1CCC(CC1)(F)F 2230a_100000724815_200015260668 [0,2,0,0,0,0|2,0,0]=4 2506 B11R1.82 O=CCN1CCC(CC1)(F)F 269982a_100000724815_200015260668 [0,2,0,0,0,0|2,0,0]=4 2507 B11R1.82 O=CCN1CCC(CC1)(F)F 34a_100000724815_200009817547 [0,2,0,0,0,0|2,0,0]=4 2508 B11R1.82 O=CCN1CCC(CC1)(O)O 269982a_100016987284_200015260668 [0,2,0,0,0,0|2,0,0]=4 2509 B11R1.83 C#CC1CCN(CC1)CC=O 2230a_100016991398_200015260668 [0,2,0,0,0,0|2,0,0]=4 2510 B11R1.83 C#CC1CCN(CC1)CC=O 269982a_100016991398_200015260668 [0,2,0,0,0,0|2,0,0]=4 2511 B11R1.83 C#CC1CCN(CC1)CC=O 34a_100016991398_200009817547 [0,2,0,0,0,0|2,0,0]=4 2512 B11R1.83 CCC1CCC(CC1)OCF 34a_100011215326_100015361967 [0,2,0,0,0,0|1,0,1]=4 2513 B11R1.83 CCC1CCC(CC1)OCF 7a_100011215326_100015361967 [0,2,0,0,0,0|1,0,1]=4 2514 B11R1.83 CCC1CCN(CC1)CC=O 2230a_100000754474_200015260668 [0,2,0,0,0,0|2,0,0]=4 2515 B11R1.83 CCC1CCN(CC1)CC=O 269982a_100000754474_200015260668 [0,2,0,0,0,0|2,0,0]=4 2516 B11R1.83 CCC1CCN(CC1)CC=O 34a_100000754474_200009817547 [0,2,0,0,0,0|2,0,0]=4 2517 B11R1.83 CCOC1CCC(CC1)C#N 34a_100009859913_100000210202 [0,2,0,0,0,0|1,0,1]=4 2518 B11R1.83 CCOC1CCC(CC1)C#N 7a_100009859913_100000210202 [0,2,0,0,0,0|1,0,1]=4 2519 B11R1.83 CCOC1CCC(CC1)CC 34a_100011215326_100000210202 [0,2,0,0,0,0|1,0,1]=4 2520 B11R1.83 CCOC1CCC(CC1)CC 7a_100011215326_100000210202 [0,2,0,0,0,0|1,0,1]=4 2521 B11R1.83 CCOC1CCC(CC1)NC 270004a_106832991635_100012183323 [0,2,0,0,0,0|1,0,1]=4 2522 B11R1.83 CCOC1CCC(CC1)OC 34a_100011581665_100000210202 [0,2,0,0,0,0|1,0,1]=4 2523 B11R1.83 CCOC1CCC(CC1)OC 7a_100011581665_100000210202 [0,2,0,0,0,0|1,0,1]=4 2524 B11R1.83 CCO[C@H]1CC[C@H](CC1)NC 34a_100020636401_100000210202 [0,2,0,0,0,0|1,0,1]=4 2525 B11R1.83 CN[C@H]1CC[C@H](CC1)OCF 34a_100020636401_100015361967 [0,2,0,0,0,0|1,0,1]=4 2526 B11R1.83 COC1CCC(CC1)OCF 34a_100011581665_100015361967 [0,2,0,0,0,0|1,0,1]=4 2527 B11R1.83 COC1CCC(CC1)OCF 7a_100011581665_100015361967 [0,2,0,0,0,0|1,0,1]=4 2528 B11R1.83 COC1CCN(CC1)CC=O 2230a_100000234800_200015260668 [0,2,0,0,0,0|2,0,0]=4 2529 B11R1.83 COC1CCN(CC1)CC=O 269982a_100000234800_200015260668 [0,2,0,0,0,0|2,0,0]=4 2530 B11R1.83 COC1CCN(CC1)CC=O 34a_100000234800_200009817547 [0,2,0,0,0,0|2,0,0]=4 2531 B11R1.83 CSC1CCN(CC1)CC=O 2230a_100015202541_200015260668 [0,2,0,0,0,0|2,0,0]=4 2532 B11R1.83 CSC1CCN(CC1)CC=O 269982a_100015202541_200015260668 [0,2,0,0,0,0|2,0,0]=4 2533 B11R1.83 CSC1CCN(CC1)CC=O 34a_100015202541_200009817547 [0,2,0,0,0,0|2,0,0]=4 2534 B11R1.83 N#CC1CCC(CC1)OCF 34a_100009859913_100015361967 [0,2,0,0,0,0|1,0,1]=4 2535 B11R1.83 N#CC1CCC(CC1)OCF 7a_100009859913_100015361967 [0,2,0,0,0,0|1,0,1]=4 2536 B11R1.83 N#CC1CCN(CC1)CC=O 2230a_100000747632_200015260668 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.83 O=CCN1CCC(CC1)CF 2230a_100015203933_200015260668 [0,2,0,0,0,0|2,0,0]=4 2538 B11R1.83 O=CCN1CCC(CC1)CF 269982a_100015203933_200015260668 [0,2,0,0,0,0|2,0,0]=4 2539 B11R1.83 O=CCN1CCC(CC1)CF 34a_100015203933_200009817547 [0,2,0,0,0,0|2,0,0]=4 2540 B11R1.83 O=CCN1CCC(CC1)CO 2230a_100000738675_200015260668 [0,2,0,0,0,0|2,0,0]=4 2541 B11R1.83 O=CCN1CCC(CC1)CO 269982a_100000738675_200015260668 [0,2,0,0,0,0|2,0,0]=4 2542 B11R1.83 O=CCN1CCC(CC1)CO 34a_100000738675_200009817547 [0,2,0,0,0,0|2,0,0]=4 2543 B11R1.192 CC1CCC(CC1C)OCF 34a_100011215933_100015361967 [0,2,0,0,0,0|1,0,1]=4 2544 B11R1.192 CC1CCC(CC1C)OCF 7a_100011215933_100015361967 [0,2,0,0,0,0|1,0,1]=4 2545 B11R1.192 CC1CCN(CC1O)CC=O 2230a_100000696640_200015260668 [0,2,0,0,0,0|2,0,0]=4 2546 B11R1.192 CC1CCN(CC1O)CC=O 269982a_100000696640_200015260668 [0,2,0,0,0,0|2,0,0]=4 2547 B11R1.192 CC1CN(CCC1O)CC=O 2230a_100011998114_200015260668 [0,2,0,0,0,0|2,0,0]=4 2548 B11R1.192 CC1CN(CCC1O)CC=O 269982a_100011998114_200015260668 [0,2,0,0,0,0|2,0,0]=4 2549 B11R1.192 CCOC1CCC(C(C1)C)C 34a_100011215933_100000210202 [0,2,0,0,0,0|1,0,1]=4 2550 B11R1.192 CCOC1CCC(C(C1)C)C 7a_100011215933_100000210202 [0,2,0,0,0,0|1,0,1]=4 2551 B11R1.192 O=CCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200015260668 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.192 O=CCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200015260668 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.192 O=CCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200015260668 [0,2,0,0,0,0|2,0,0]=4 2554 B11R1.192 O=CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200015260668 [0,2,0,0,0,0|2,0,0]=4 2555 B11R1.1234 CCO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_100000210202 [0,2,0,0,0,0|1,0,1]=4 2556 B11R1.1234 C[C@@]1(CC[C@@H](CC1)N)OCF 34a_202125554758_100015361967 [0,2,0,0,0,0|1,0,1]=4 2557 B11R1.13 CC1CCCC(C1C)OCF 34a_100011217532_100015361967 [0,2,0,0,0,0|1,0,1]=4 2558 B11R1.13 CC1CCCC(C1C)OCF 7a_100011217532_100015361967 [0,2,0,0,0,0|1,0,1]=4 2559 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,2,0,0,0,0|1,0,1]=4 2560 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,2,0,0,0,0|1,0,1]=4 2561 B11R1.17 C#CCOC1CCCCC1C 34a_100000211207_100000184674 [0,2,0,0,0,0|1,0,1]=4 2562 B11R1.17 C#CCOC1CCCCC1C 7a_100000211207_100000038162 [0,2,0,0,0,0|1,0,1]=4 2563 B11R1.17 C#CCOC1CCCCC1Cl 34a_100000038908_100000184674 [0,2,0,0,0,0|1,0,1]=4 2564 B11R1.17 C#CCOC1CCCCC1Cl 7a_100000038908_100000038162 [0,2,0,0,0,0|1,0,1]=4 2565 B11R1.17 C#CCOC1CCCCC1F 34a_100000210247_100015423560 [0,2,0,0,0,0|1,0,1]=4 2566 B11R1.17 C#CCOC1CCCCC1O 34a_100000210247_100000038908 [0,2,0,0,0,0|1,0,1]=4 2567 B11R1.17 C#CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000184674 [0,2,0,0,0,0|1,0,1]=4 2568 B11R1.17 C#CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000038162 [0,2,0,0,0,0|1,0,1]=4 2569 B11R1.17 C#CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000184674 [0,2,0,0,0,0|1,0,1]=4 2570 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [0,2,0,0,0,0|2,0,0]=4 2571 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [0,2,0,0,0,0|2,0,0]=4 2572 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [0,2,0,0,0,0|2,0,0]=4 2573 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [0,2,0,0,0,0|2,0,0]=4 2574 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [0,2,0,0,0,0|2,0,0]=4 2575 B11R1.17 C=CCOC1CCCCC1=O 34a_100011214950_100015514636 [0,2,0,0,0,0|1,0,1]=4 2576 B11R1.17 C=CCOC1CCCCC1=O 34a_200000210373_100000754470 [0,2,0,0,0,0|1,0,1]=4 2577 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [0,2,0,0,0,0|1,0,0]=3 2578 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [0,2,0,0,0,0|1,0,0]=3 2579 B11R1.17 C=CCOC1CCCCC1Cl 34a_100000038908_100015514636 [0,2,0,0,0,0|1,0,0]=3 2580 B11R1.17 C=CCOC1CCCCC1Cl 7a_100000038908_100015514636 [0,2,0,0,0,0|1,0,0]=3 2581 B11R1.17 C=CCOC1CCCCC1F 34a_200000210373_100015423560 [0,2,0,0,0,0|1,0,0]=3 2582 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [0,2,0,0,0,0|1,0,0]=3 2583 B11R1.17 C=CCOC1CCNCC1C 34a_100011998114_100015514636 [0,2,0,0,0,0|2,0,0]=4 2584 B11R1.17 C=CCOC1CNCCC1C 34a_100000696640_100015514636 [0,2,0,0,0,0|2,0,0]=4 2585 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015514636 [0,2,0,0,0,0|1,0,0]=3 2586 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015514636 [0,2,0,0,0,0|1,0,0]=3 2587 B11R1.17 C=CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100015514636 [0,2,0,0,0,0|2,0,0]=4 2588 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [0,2,0,0,0,0|1,0,0]=3 2589 B11R1.17 C=CCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100015514636 [0,2,0,0,0,0|2,0,0]=4 2590 B11R1.17 C=CCO[C@H]1COCC[C@H]1N 34a_100016994285_100015514636 [0,2,0,0,0,0|2,0,0]=4 2591 B11R1.17 C=CCSC1CCCCC1F 62a_100000210623_100015423560 [0,2,0,0,0,0|1,1,0]=4 2592 B11R1.17 C=CCSC1CCCCC1F 62a_100015423560_100000210623 [0,2,0,0,0,0|1,1,0]=4 2593 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [0,2,0,0,0,0|1,1,0]=4 2594 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [0,2,0,0,0,0|1,1,0]=4 2595 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [0,2,0,0,0,0|1,0,0]=3 2596 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [0,2,0,0,0,0|1,0,0]=3 2597 B11R1.17 CC1CCCCC1OCC#N 7a_100000211207_100011215382 [0,2,0,0,0,0|1,0,1]=4 2598 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [0,2,0,0,0,0|0,0,0]=2 2599 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [0,2,0,0,0,0|0,0,0]=2 2600 B11R1.17 CC1CCCCC1OCCF 34a_100000211207_100011217306 [0,2,0,0,0,0|1,0,1]=4 2601 B11R1.17 CC1CCCCC1OCCF 7a_100000211207_100011217306 [0,2,0,0,0,0|1,0,1]=4 2602 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,2,0,0,0,0|0,0,2]=4 2603 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,2,0,0,0,0|0,0,2]=4 2604 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [0,2,0,0,0,0|1,0,0]=3 2605 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [0,2,0,0,0,0|1,0,0]=3 2606 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [0,2,0,0,0,0|1,0,1]=4 2607 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [0,2,0,0,0,0|1,0,1]=4 2608 B11R1.17 CCCOC1CCCCC1Cl 34a_100000038908_100000210303 [0,2,0,0,0,0|1,0,1]=4 2609 B11R1.17 CCCOC1CCCCC1Cl 7a_100000038908_100000210303 [0,2,0,0,0,0|1,0,1]=4 2610 B11R1.17 CCCOC1CCCCC1F 34a_100000210258_100015423560 [0,2,0,0,0,0|1,0,1]=4 2611 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,2,0,0,0,0|1,0,1]=4 2612 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210303 [0,2,0,0,0,0|1,0,1]=4 2613 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210303 [0,2,0,0,0,0|1,0,1]=4 2614 B11R1.17 CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210303 [0,2,0,0,0,0|1,0,1]=4 2615 B11R1.17 CSCOC1CCCCC1C 34a_100000211207_100011218213 [0,2,0,0,0,0|0,1,1]=4 2616 B11R1.17 CSCOC1CCCCC1Cl 34a_100000038908_100011218213 [0,2,0,0,0,0|0,1,1]=4 2617 B11R1.17 CSCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011218213 [0,2,0,0,0,0|0,1,1]=4 2618 B11R1.17 CSCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218213 [0,2,0,0,0,0|0,1,1]=4 2619 B11R1.17 FC1CCCCC1OCCBr 34a_100000211926_100015423560 [0,2,0,0,0,0|1,0,1]=4 2620 B11R1.17 FCCOC1CCCCC1Cl 34a_100000038908_100011217306 [0,2,0,0,0,0|1,0,1]=4 2621 B11R1.17 FCCOC1CCCCC1Cl 7a_100000038908_100011217306 [0,2,0,0,0,0|1,0,1]=4 2622 B11R1.17 FCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011217306 [0,2,0,0,0,0|1,0,1]=4 2623 B11R1.17 FCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011217306 [0,2,0,0,0,0|1,0,1]=4 2624 B11R1.17 N#CCOC1CCCCC1Cl 7a_100000038908_100011215382 [0,2,0,0,0,0|1,0,1]=4 2625 B11R1.17 N#CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215382 [0,2,0,0,0,0|1,0,1]=4 2626 B11R1.17 NCCOC1CCCCC1F 34a_100000210304_100015423560 [0,2,0,0,0,0|1,0,1]=4 2627 B11R1.17 NCCOC1CCCCC1O 34a_100000210304_100000038908 [0,2,0,0,0,0|1,0,1]=4 2628 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [0,2,0,0,0,0|0,0,0]=2 2629 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCF 34a_100015191688_100011217306 [0,2,0,0,0,0|1,0,1]=4 2630 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [0,2,0,0,0,0|0,0,2]=4 2631 B11R1.17 N[C@@H]1CCOC[C@@H]1OCC=O 34a_100016994285_200009817547 [0,2,0,0,0,0|1,0,0]=3 2632 B11R1.17 N[C@H]1COCC[C@@H]1OCC=O 34a_100015739063_200009817547 [0,2,0,0,0,0|1,0,0]=3 2633 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [0,2,0,0,0,0|1,0,0]=3 2634 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [0,2,0,0,0,0|1,0,0]=3 2635 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200015260668 [0,2,0,0,0,0|2,0,0]=4 2636 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200015260668 [0,2,0,0,0,0|2,0,0]=4 2637 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_200009817547 [0,2,0,0,0,0|2,0,0]=4 2638 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200015260668 [0,2,0,0,0,0|2,0,0]=4 2639 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [0,2,0,0,0,0|0,0,1]=3 2640 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [0,2,0,0,0,0|0,0,0]=2 2641 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [0,2,0,0,0,0|0,0,0]=2 2642 B11R1.17 O=CCOC1CCCNC1=O 34a_100000073722_200009817547 [0,2,0,0,0,0|1,0,1]=4 2643 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [0,2,0,0,0,0|0,0,0]=2 2644 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [0,2,0,0,0,0|0,0,0]=2 2645 B11R1.17 O=CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200009817547 [0,2,0,0,0,0|1,0,0]=3 2646 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [0,2,0,0,0,0|0,1,1]=4 2647 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [0,2,0,0,0,0|0,1,1]=4 2648 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [0,2,0,0,0,0|0,1,0]=3 2649 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [0,2,0,0,0,0|0,1,0]=3 2650 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [0,2,0,0,0,0|0,1,0]=3 2651 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [0,2,0,0,0,0|0,1,0]=3 2652 B11R1.17 OC1CCCCC1OCCBr 34a_100000211926_100000038908 [0,2,0,0,0,0|1,0,1]=4 2653 B11R1.17 OCCOC1CCCCC1Cl 34a_100000038908_100000211926 [0,2,0,0,0,0|0,0,2]=4 2654 B11R1.17 OCCOC1CCCCC1Cl 7a_100000038908_100000211926 [0,2,0,0,0,0|0,0,2]=4 2655 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211926 [0,2,0,0,0,0|0,0,2]=4 2656 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211926 [0,2,0,0,0,0|0,0,2]=4 2657 B11R1.41 C#CC1CCCCN1CC=O 2230a_200020621307_200015260668 [0,2,0,0,0,0|2,0,0]=4 2658 B11R1.41 C#CC1CCCCN1CC=O 269982a_200020621307_200015260668 [0,2,0,0,0,0|2,0,0]=4 2659 B11R1.41 C#CC1CCCCN1CC=O 34a_200020621307_200009817547 [0,2,0,0,0,0|2,0,0]=4 2660 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [0,2,0,0,0,0|2,0,0]=4 2661 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [0,2,0,0,0,0|1,0,1]=4 2663 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [0,2,0,0,0,0|1,0,1]=4 2664 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [0,2,0,0,0,0|2,0,0]=4 2665 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [0,2,0,0,0,0|2,0,0]=4 2666 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [0,2,0,0,0,0|2,0,0]=4 2667 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [0,2,0,0,0,0|1,0,1]=4 2668 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [0,2,0,0,0,0|1,0,1]=4 2669 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [0,2,0,0,0,0|1,0,1]=4 2670 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [0,2,0,0,0,0|1,0,1]=4 2671 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [0,2,0,0,0,0|1,0,1]=4 2672 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [0,2,0,0,0,0|1,0,1]=4 2673 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [0,2,0,0,0,0|1,0,1]=4 2674 B11R1.41 CN[C@@H]1CCCC[C@H]1OCF 34a_100000708425_100015361967 [0,2,0,0,0,0|1,0,1]=4 2675 B11R1.41 CO[C@H]1CCCC[C@@H]1OCF 34a_200009815850_100015361967 [0,2,0,0,0,0|1,0,1]=4 2676 B11R1.41 CO[C@H]1CCCC[C@@H]1OCF 7a_200009815850_100015361967 [0,2,0,0,0,0|1,0,1]=4 2677 B11R1.41 N#CC1CCCCN1CC=O 34a_100016989756_200009817547 [0,2,0,0,0,0|2,0,0]=4 2678 B11R1.41 NCC1CCCCC1OCF 34a_100011216029_100015361967 [0,2,0,0,0,0|1,0,1]=4 2679 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [0,2,0,0,0,0|2,0,0]=4 2680 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [0,2,0,0,0,0|2,0,0]=4 2681 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [0,2,0,0,0,0|2,0,0]=4 2682 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,2,0,0,0,0|2,0,0]=4 2683 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,2,0,0,0,0|1,0,0]=3 2684 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,2,0,0,0,0|1,0,0]=3 2685 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,2,0,0,0,0|1,0,0]=3 2686 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,2,0,0,0,0|1,0,0]=3 2687 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,2,0,0,0,0|1,0,0]=3 2688 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,2,0,0,0,0|1,0,0]=3 2689 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,2,0,0,0,0|1,0,0]=3 2690 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,2,0,0,0,0|1,0,0]=3 2691 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,2,0,0,0,0|1,0,0]=3 2692 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,2,0,0,0,0|1,0,0]=3 2693 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100015343762 [0,2,0,0,0,0|2,0,0]=4 2694 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100015343762 [0,2,0,0,0,0|2,0,0]=4 2695 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100103153847 [0,2,0,0,0,0|2,0,0]=4 2696 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100015343762 [0,2,0,0,0,0|2,0,0]=4 2697 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100015343762 [0,2,0,0,0,0|2,0,0]=4 2698 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100015343762 [0,2,0,0,0,0|2,0,0]=4 2699 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100103153847 [0,2,0,0,0,0|2,0,0]=4 2700 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [0,2,0,0,0,0|2,0,0]=4 2701 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [0,2,0,0,0,0|2,0,0]=4 2702 B11R1.86 CC(C)OC1CCCCC1C 34a_100000211207_100000210206 [0,2,0,0,0,0|1,0,1]=4 2703 B11R1.86 CC(C)OC1CCCCC1C 7a_100000211207_100000210206 [0,2,0,0,0,0|1,0,1]=4 2704 B11R1.86 CC(C)OC1CCCCC1Cl 34a_100000038908_100000210206 [0,2,0,0,0,0|1,0,1]=4 2705 B11R1.86 CC(C)OC1CCCCC1Cl 7a_100000038908_100000210206 [0,2,0,0,0,0|1,0,1]=4 2706 B11R1.86 CC(C)OC1CCCCC1F 34a_100000212225_100015423560 [0,2,0,0,0,0|1,0,1]=4 2707 B11R1.86 CC(C)OC1CCCCC1O 34a_100000212225_100000038908 [0,2,0,0,0,0|1,0,1]=4 2708 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210206 [0,2,0,0,0,0|1,0,1]=4 2709 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210206 [0,2,0,0,0,0|1,0,1]=4 2710 B11R1.86 CC(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100000210206 [0,2,0,0,0,0|1,0,1]=4 2711 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,2,0,0,0,0|2,0,0]=4 2712 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,2,0,0,0,0|2,0,0]=4 2713 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,2,0,0,0,0|2,0,0]=4 2714 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,2,0,0,0,0|2,0,0]=4 2715 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,2,0,0,0,0|2,0,0]=4 2716 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,2,0,0,0,0|2,0,0]=4 2717 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,2,0,0,0,0|2,0,0]=4 2718 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,2,0,0,0,0|2,0,0]=4 2719 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,2,0,0,0,0|2,0,0]=4 2720 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,2,0,0,0,0|2,0,0]=4 2721 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,2,0,0,0,0|2,0,0]=4 2722 B11R1.182 CC1CCC(C(C1)OCF)C 34a_100011217446_100015361967 [0,2,0,0,0,0|1,0,1]=4 2723 B11R1.182 CC1CCC(C(C1)OCF)C 7a_100011217446_100015361967 [0,2,0,0,0,0|1,0,1]=4 2724 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [0,2,0,0,0,0|1,0,1]=4 2725 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [0,2,0,0,0,0|1,0,1]=4 2726 B11R1.191 CCOC1CCCCC1(F)F 34a_100121572206_200009832135 [0,2,0,0,0,0|1,0,1]=4 2727 B11R1.605 CC1CCCC(C1OCF)C 34a_100011218088_100015361967 [0,2,0,0,0,0|1,0,1]=4 2728 B11R1.605 CC1CCCC(C1OCF)C 7a_100011218088_100015361967 [0,2,0,0,0,0|1,0,1]=4 2729 B11R1.605 CC1CCCC(N1CC=O)C 2230a_100000210447_200015260668 [0,2,0,0,0,0|2,0,0]=4 2730 B11R1.605 CC1CCCC(N1CC=O)C 269982a_100000210447_200015260668 [0,2,0,0,0,0|2,0,0]=4 2731 B11R1.605 CC1CCCC(N1CC=O)C 34a_100000210447_200009817547 [0,2,0,0,0,0|2,0,0]=4 2732 B11R1.605 CCOC1C(CCCC1C)C 34a_100011218088_100000210202 [0,2,0,0,0,0|1,0,1]=4 2733 B11R1.605 CCOC1C(CCCC1C)C 7a_100011218088_100000210202 [0,2,0,0,0,0|1,0,1]=4 2734 B11R1.24 C#CCOC1CCCC(C1)C 34a_100000211399_100000184674 [0,2,0,0,0,0|1,0,1]=4 2735 B11R1.24 C=CCNC1CCCC(C1)C 2230a_100011194320_100000210623 [0,2,0,0,0,0|2,0,0]=4 2736 B11R1.24 C=CCNC1CCCC(C1)C 270004a_100020586998_100000183594 [0,2,0,0,0,0|2,0,0]=4 2737 B11R1.24 C=CCNC1CCCC(C1)C 34a_100011194320_100015514636 [0,2,0,0,0,0|2,0,0]=4 2738 B11R1.24 C=CCNC1CCCC(C1)O 2230a_100015190357_100000210623 [0,2,0,0,0,0|2,0,0]=4 2739 B11R1.24 C=CCNC1CCCC(C1)O 270004a_100020586998_100012613340 [0,2,0,0,0,0|2,0,0]=4 2740 B11R1.24 C=CCOC1CCCC(=O)C1 34a_100012613340_100015514636 [0,2,0,0,0,0|1,0,1]=4 2741 B11R1.24 C=CCOC1CCCC(C1)C 34a_100000211399_100015514636 [0,2,0,0,0,0|1,0,0]=3 2742 B11R1.24 C=CCOC1CCOC(C1)C 34a_100011986385_100015514636 [0,2,0,0,0,0|2,0,0]=4 2743 B11R1.24 C=CCOC1CCOC(C1)C 7a_100011986385_100015514636 [0,2,0,0,0,0|2,0,0]=4 2744 B11R1.24 CC1=CC(CCC1)OCC=O 34a_100011218613_200009817547 [0,2,0,0,0,0|0,0,2]=4 2745 B11R1.24 CC1CC(CCO1)OCC=O 34a_100011986385_200009817547 [0,2,0,0,0,0|1,0,0]=3 2746 B11R1.24 CC1CC(CCO1)OCC=O 7a_100011986385_200015260668 [0,2,0,0,0,0|1,0,0]=3 2747 B11R1.24 CC1CCCC(C1)NCC=O 2230a_100011194320_200015260668 [0,2,0,0,0,0|1,0,0]=3 2748 B11R1.24 CC1CCCC(C1)NCC=O 34a_100011194320_200009817547 [0,2,0,0,0,0|1,0,0]=3 2749 B11R1.24 CC1CCCC(C1)OCC=O 34a_100000211399_200009817547 [0,2,0,0,0,0|0,0,0]=2 2750 B11R1.24 CC1CCCC(C1)OCCF 34a_100000211399_100011217306 [0,2,0,0,0,0|1,0,1]=4 2751 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [0,2,0,0,0,0|0,0,2]=4 2752 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [0,2,0,0,0,0|1,0,1]=4 2753 B11R1.24 CSCOC1CCCC(C1)C 34a_100000211399_100011218213 [0,2,0,0,0,0|0,1,1]=4 2754 B11R1.24 O=CCNC1CCCC(C1)O 2230a_100015190357_200015260668 [0,2,0,0,0,0|1,0,0]=3 2755 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [0,2,0,0,0,0|0,0,1]=3 2756 B11R1.24 O=CCO[C@@H]1CCNC(=O)C1 34a_100015189427_200009817547 [0,2,0,0,0,0|1,0,1]=4 2757 B11R1.34 CC1CC(CN(C1)CC=O)C 2230a_100000210448_200015260668 [0,2,0,0,0,0|2,0,0]=4 2758 B11R1.34 CC1CC(CN(C1)CC=O)C 269982a_100000210448_200015260668 [0,2,0,0,0,0|2,0,0]=4 2759 B11R1.34 CC1CC(CN(C1)CC=O)C 34a_100000210448_200009817547 [0,2,0,0,0,0|2,0,0]=4 2760 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,2,0,0,0,0|1,0,0]=3 2761 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,2,0,0,0,0|2,0,0]=4 2762 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,2,0,0,0,0|1,0,0]=3 2763 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,2,0,0,0,0|1,0,0]=3 2764 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,2,0,0,0,0|1,0,0]=3 2765 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,2,0,0,0,0|1,0,0]=3 2766 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,2,0,0,0,0|1,0,0]=3 2767 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,2,0,0,0,0|1,0,0]=3 2768 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,2,0,0,0,0|2,0,0]=4 2769 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,2,0,0,0,0|2,0,0]=4 2770 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,2,0,0,0,0|2,0,0]=4 2771 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,2,0,0,0,0|2,0,0]=4 2772 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,2,0,0,0,0|2,0,0]=4 2773 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,2,0,0,0,0|2,0,0]=4 2774 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,2,0,0,0,0|1,0,0]=3 2775 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,2,0,0,0,0|1,0,1]=4 2776 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,2,0,0,0,0|2,0,0]=4 2777 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,2,0,0,0,0|2,0,0]=4 2778 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,2,0,0,0,0|2,0,0]=4 2779 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,2,0,0,0,0|2,0,0]=4 2780 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,2,0,0,0,0|2,0,0]=4 2781 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,2,0,0,0,0|2,0,0]=4 2782 B11R1.157 NC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747473 [0,2,0,0,0,0|2,0,0]=4 2783 B11R1.157 NC(=O)CN1CCCC(C1)F 269982a_100000697950_100000187820 [0,2,0,0,0,0|2,0,0]=4 2784 B11R1.157 NC(=O)CN1CCCC(C1)F 34a_100000697950_100000187820 [0,2,0,0,0,0|2,0,0]=4 2785 B11R1.157 NC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747473 [0,2,0,0,0,0|2,0,0]=4 2786 B11R1.157 NC(=O)CN1CCCC(C1)O 269982a_100000211013_100000187820 [0,2,0,0,0,0|2,0,0]=4 2787 B11R1.157 O=C([O-])CN1CCCC(C1)F 269982a_100000697950_100020667443 [0,2,0,0,0,0|2,0,0]=4 2788 B11R1.157 O=C([O-])CN1CCCC(C1)F 34a_100000697950_100020667443 [0,2,0,0,0,0|2,0,0]=4 2789 B11R1.157 O=C([O-])CN1CCCC(C1)O 269982a_100000211013_100020667443 [0,2,0,0,0,0|2,0,0]=4 2790 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,2,0,0,0,0|2,0,0]=4 2791 B11R1.189 C#CC1CCCN(C1)CC=O 2230a_100015191679_200015260668 [0,2,0,0,0,0|2,0,0]=4 2792 B11R1.189 C#CC1CCCN(C1)CC=O 269982a_100015191679_200015260668 [0,2,0,0,0,0|2,0,0]=4 2793 B11R1.189 C#CC1CCCN(C1)CC=O 34a_100015191679_200009817547 [0,2,0,0,0,0|2,0,0]=4 2794 B11R1.189 CCC1CCCC(C1)OCF 7a_100011985506_100015361967 [0,2,0,0,0,0|1,0,1]=4 2795 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,2,0,0,0,0|1,0,1]=4 2796 B11R1.189 CCOC1CCCC(C1)CN 34a_100011254705_100000210202 [0,2,0,0,0,0|1,0,1]=4 2797 B11R1.189 COC1CCCN(C1)CC=O 2230a_100000695604_200015260668 [0,2,0,0,0,0|2,0,0]=4 2798 B11R1.189 COC1CCCN(C1)CC=O 269982a_100000695604_200015260668 [0,2,0,0,0,0|2,0,0]=4 2799 B11R1.189 COC1CCCN(C1)CC=O 34a_100000695604_200009817547 [0,2,0,0,0,0|2,0,0]=4 2800 B11R1.189 N#CC1CCCN(C1)CC=O 2230a_100016989302_200015260668 [0,2,0,0,0,0|2,0,0]=4 2801 B11R1.189 N#CC1CCCN(C1)CC=O 269982a_206835378768_200015260668 [0,2,0,0,0,0|2,0,0]=4 2802 B11R1.189 NCC1CCCC(C1)OCF 34a_100011254705_100015361967 [0,2,0,0,0,0|1,0,1]=4 2803 B11R1.189 O=CCN1CCCC(C1)CF 2230a_100016992999_200015260668 [0,2,0,0,0,0|2,0,0]=4 2804 B11R1.189 O=CCN1CCCC(C1)CF 269982a_100016992999_200015260668 [0,2,0,0,0,0|2,0,0]=4 2805 B11R1.189 O=CCN1CCCC(C1)CF 34a_100016992999_200009817547 [0,2,0,0,0,0|2,0,0]=4 2806 B11R1.189 O=CCN1CCCC(C1)CO 2230a_100000211344_200015260668 [0,2,0,0,0,0|2,0,0]=4 2807 B11R1.189 O=CCN1CCCC(C1)CO 269982a_100000211344_200015260668 [0,2,0,0,0,0|2,0,0]=4 2808 B11R1.189 O=CCN1CCCC(C1)CO 34a_100000211344_200009817547 [0,2,0,0,0,0|2,0,0]=4 2809 B11R1.342 CC1(CCCC(C1)OCF)C 7a_100011995757_100015361967 [0,2,0,0,0,0|1,0,1]=4 2810 B11R1.342 CC1(CCCN(C1)CC=O)C 2230a_100000716857_200015260668 [0,2,0,0,0,0|2,0,0]=4 2811 B11R1.342 CC1(CCCN(C1)CC=O)C 269982a_100000716857_200015260668 [0,2,0,0,0,0|2,0,0]=4 2812 B11R1.342 CC1(CCCN(C1)CC=O)C 34a_100000716857_200009817547 [0,2,0,0,0,0|2,0,0]=4 2813 B11R1.342 CC1(CCCN(C1)CC=O)O 2230a_100000695535_200015260668 [0,2,0,0,0,0|2,0,0]=4 2814 B11R1.342 CC1(CCCN(C1)CC=O)O 269982a_100000695535_200015260668 [0,2,0,0,0,0|2,0,0]=4 2815 B11R1.342 CCOC1CCCC(C1)(C)C 7a_100011995757_100000210202 [0,2,0,0,0,0|1,0,1]=4 2816 B11R1.342 O=CCN1CCCC(C1)(F)F 2230a_100000732682_200015260668 [0,2,0,0,0,0|2,0,0]=4 2817 B11R1.342 O=CCN1CCCC(C1)(F)F 269982a_100000732682_200015260668 [0,2,0,0,0,0|2,0,0]=4 2818 B11R1.342 O=CCN1CCCC(C1)(F)F 34a_100000732682_200009817547 [0,2,0,0,0,0|2,0,0]=4 2819 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [0,2,0,0,0,0|2,0,0]=4 2820 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [0,2,0,0,0,0|2,0,0]=4 2821 B11R1.16 C=CCN(C)C1CCCCC1 2230a_100000207522_100000210623 [0,2,0,0,0,0|2,0,0]=4 2822 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000207522_100000210623 [0,2,0,0,0,0|2,0,0]=4 2823 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000225617_100000210327 [0,2,0,0,0,0|2,0,0]=4 2824 B11R1.16 C=CCN(C)C1CCCCC1 270004a_100000225617_100000210434 [0,2,0,0,0,0|2,0,0]=4 2825 B11R1.16 C=CCN(C)C1CCCCC1 34a_100000207522_100015514636 [0,2,0,0,0,0|2,0,0]=4 2826 B11R1.16 CC(OCF)C1CCCCC1 34a_100011216961_100015361967 [0,2,0,0,0,0|1,0,1]=4 2827 B11R1.16 CC(OCF)C1CCCCC1 7a_100011216961_100015361967 [0,2,0,0,0,0|1,0,1]=4 2828 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,2,0,0,0,0|2,0,0]=4 2829 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,2,0,0,0,0|1,0,1]=4 2830 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,2,0,0,0,0|1,0,1]=4 2831 B11R1.16 CN(CC=O)C1CCCCC1 2230a_100000207522_200015260668 [0,2,0,0,0,0|1,0,0]=3 2832 B11R1.16 CN(CC=O)C1CCCCC1 269982a_100000207522_200015260668 [0,2,0,0,0,0|1,0,0]=3 2833 B11R1.16 CN(CC=O)C1CCCCC1 34a_100000207522_200009817547 [0,2,0,0,0,0|1,0,0]=3 2834 B11R1.16 CN(CC=O)C1CCOCC1 2230a_100020587155_200015260668 [0,2,0,0,0,0|2,0,0]=4 2835 B11R1.16 CN(CC=O)C1CCOCC1 269982a_100020587155_200015260668 [0,2,0,0,0,0|2,0,0]=4 2836 B11R1.16 CN(CC=O)C1CCOCC1 34a_100020587155_200009817547 [0,2,0,0,0,0|2,0,0]=4 2837 B11R1.16 CN(CC=O)C1CCSCC1 2230a_100015184757_200015260668 [0,2,0,0,0,0|2,0,0]=4 2838 B11R1.16 CN(CC=O)C1CCSCC1 269982a_100015184757_200015260668 [0,2,0,0,0,0|2,0,0]=4 2839 B11R1.16 CN(CC=O)C1CCSCC1 34a_100015184757_200009817547 [0,2,0,0,0,0|2,0,0]=4 2840 B11R1.16 O=C(C=CBr)C1CCCCC1 1458a_100016273825_100000210327 [0,2,0,0,0,0|2,0,0]=4 2841 B11R1.16 O=C(C=CCl)C1CCCCC1 1458a_200016279998_100000210327 [0,2,0,0,0,0|2,0,0]=4 2842 B11R1.16 O=C(C=CI)C1CCCCC1 1458a_100016256311_100000210327 [0,2,0,0,0,0|2,0,0]=4 2843 B11R1.36 C=C(C)C(=O)C1CCCCC1 1458a_100000185857_100000210327 [0,2,0,0,0,0|2,0,0]=4 2844 B11R1.36 CC(=O)C(=O)N1CCCCC1 1458a_200011297168_200000210301 [0,2,0,0,0,0|2,0,0]=4 2845 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,2,0,0,0,0|1,0,0]=3 2846 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,2,0,0,0,0|1,0,0]=3 2847 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,2,0,0,0,0|1,0,0]=3 2848 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,2,0,0,0,0|1,0,0]=3 2849 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,2,0,0,0,0|1,0,0]=3 2850 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,2,0,0,0,0|1,0,0]=3 2851 B11R1.36 CC(=O)N(C)C1CCOCC1 11a_100020587155_100015343762 [0,2,0,0,0,0|2,0,0]=4 2852 B11R1.36 CC(=O)N(C)C1CCOCC1 1626a_100020587155_100015343762 [0,2,0,0,0,0|2,0,0]=4 2853 B11R1.36 CC(=O)N(C)C1CCOCC1 240690a_100020587155_100015343762 [0,2,0,0,0,0|2,0,0]=4 2854 B11R1.36 CC(=O)N(C)C1CCOCC1 527a_100020587155_100103153847 [0,2,0,0,0,0|2,0,0]=4 2855 B11R1.36 CC(=O)N(C)C1CCSCC1 11a_100015184757_100015343762 [0,2,0,0,0,0|2,0,0]=4 2856 B11R1.36 CC(=O)N(C)C1CCSCC1 240690a_100015184757_100015343762 [0,2,0,0,0,0|2,0,0]=4 2857 B11R1.36 CC(=O)N(C)C1CCSCC1 527a_100015184757_100103153847 [0,2,0,0,0,0|2,0,0]=4 2858 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,2,0,0,0,0|1,0,0]=3 2859 B11R1.36 [13CH3]C(=O)C(=O)N1CCCCC1 1458a_200011297168_200025704644 [0,2,0,0,0,0|2,0,0]=4 2860 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,2,0,0,0,0|1,0,0]=3 2861 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [0,2,0,0,0,0|1,0,1]=4 2862 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [0,2,0,0,0,0|1,0,1]=4 2863 B11R1.28 C#CCCOC1CCCCC1 34a_100000210231_100000688953 [0,2,0,0,0,0|1,0,1]=4 2864 B11R1.28 C#CCCOC1CCCCC1 34a_100011215631_100000210327 [0,2,0,0,0,0|1,0,1]=4 2865 B11R1.28 C#CCCOC1CCCCC1 7a_100000210231_100000688953 [0,2,0,0,0,0|1,0,1]=4 2866 B11R1.28 C#CCOCC1CCCCC1 34a_100000210247_100000211423 [0,2,0,0,0,0|1,0,1]=4 2867 B11R1.28 C#CCOCC1CCCCC1 34a_100000212181_100000184674 [0,2,0,0,0,0|1,0,1]=4 2868 B11R1.28 C#CCOCC1CCCCC1 7a_100000212181_100000038162 [0,2,0,0,0,0|1,0,1]=4 2869 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [0,2,0,0,0,0|2,0,0]=4 2870 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [0,2,0,0,0,0|1,0,0]=3 2871 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [0,2,0,0,0,0|1,0,0]=3 2872 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [0,2,0,0,0,0|1,0,0]=3 2873 B11R1.28 C/C=C/COC1CCCCO1 34a_100000033831_100102629194 [0,2,0,0,0,0|2,0,0]=4 2874 B11R1.28 C/C=C/COC1CCCOC1 34a_100000754041_100102629194 [0,2,0,0,0,0|2,0,0]=4 2875 B11R1.28 C/C=C/COC1CCCOC1 34a_100016270725_100000693364 [0,2,0,0,0,0|2,0,0]=4 2876 B11R1.28 C/C=C/COC1CCCSC1 7a_100015962668_100102629194 [0,2,0,0,0,0|2,0,0]=4 2877 B11R1.28 C/C=C/COC1CCOCC1 34a_100000744328_100102629194 [0,2,0,0,0,0|2,0,0]=4 2878 B11R1.28 C/C=C/COC1CCSCC1 34a_100000731022_100102629194 [0,2,0,0,0,0|2,0,0]=4 2879 B11R1.28 C/C=C/COC1CCSCC1 34a_100016270725_100000069128 [0,2,0,0,0,0|2,0,0]=4 2880 B11R1.28 C/C=C/COC1CCSCC1 7a_100000731022_100102629194 [0,2,0,0,0,0|2,0,0]=4 2881 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [0,2,0,0,0,0|1,1,0]=4 2882 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [0,2,0,0,0,0|1,1,0]=4 2883 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [0,2,0,0,0,0|2,0,0]=4 2884 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [0,2,0,0,0,0|2,0,0]=4 2885 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [0,2,0,0,0,0|2,0,0]=4 2886 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [0,2,0,0,0,0|1,0,0]=3 2887 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [0,2,0,0,0,0|1,0,0]=3 2888 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [0,2,0,0,0,0|1,0,0]=3 2889 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [0,2,0,0,0,0|2,0,0]=4 2890 B11R1.28 C=CCCOC1CCCOC1 34a_100000754041_100000754431 [0,2,0,0,0,0|2,0,0]=4 2891 B11R1.28 C=CCCOC1CCCOC1 34a_100011205117_100000693364 [0,2,0,0,0,0|2,0,0]=4 2892 B11R1.28 C=CCCOC1CCCSC1 7a_100015962668_100000754431 [0,2,0,0,0,0|2,0,0]=4 2893 B11R1.28 C=CCCOC1CCOCC1 34a_100000744328_100000754431 [0,2,0,0,0,0|2,0,0]=4 2894 B11R1.28 C=CCCOC1CCSCC1 34a_100000731022_100000754431 [0,2,0,0,0,0|2,0,0]=4 2895 B11R1.28 C=CCCOC1CCSCC1 34a_100011205117_100000069128 [0,2,0,0,0,0|2,0,0]=4 2896 B11R1.28 C=CCCOC1CCSCC1 7a_100000731022_100000754431 [0,2,0,0,0,0|2,0,0]=4 2897 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [0,2,0,0,0,0|1,1,0]=4 2898 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [0,2,0,0,0,0|1,1,0]=4 2899 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [0,2,0,0,0,0|2,0,0]=4 2900 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [0,2,0,0,0,0|2,0,0]=4 2901 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [0,2,0,0,0,0|2,0,0]=4 2902 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [0,2,0,0,0,0|1,0,0]=3 2903 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [0,2,0,0,0,0|1,0,0]=3 2904 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [0,2,0,0,0,0|1,0,0]=3 2905 B11R1.28 C=CCOCC1CCCCN1 34a_100000210821_100015514636 [0,2,0,0,0,0|2,0,0]=4 2906 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [0,2,0,0,0,0|2,0,0]=4 2907 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [0,2,0,0,0,0|2,0,0]=4 2908 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [0,2,0,0,0,0|2,0,0]=4 2909 B11R1.28 C=CCOCC1CCCNC1 34a_100000211344_100015514636 [0,2,0,0,0,0|2,0,0]=4 2910 B11R1.28 C=CCOCC1CCCOC1 34a_100000741520_100015514636 [0,2,0,0,0,0|2,0,0]=4 2911 B11R1.28 C=CCOCC1CCCOC1 34a_200000210373_100000741521 [0,2,0,0,0,0|2,0,0]=4 2912 B11R1.28 C=CCOCC1CCNCC1 34a_100000738675_100015514636 [0,2,0,0,0,0|2,0,0]=4 2913 B11R1.28 C=CCOCC1CCOCC1 34a_100000749013_100015514636 [0,2,0,0,0,0|2,0,0]=4 2914 B11R1.28 C=CCOCC1CCOCC1 34a_200000210373_100000754603 [0,2,0,0,0,0|2,0,0]=4 2915 B11R1.28 C=CCOCC1CCSCC1 34a_100000070558_100015514636 [0,2,0,0,0,0|2,0,0]=4 2916 B11R1.28 C=CCOCC1CCSCC1 7a_100000070558_100015514636 [0,2,0,0,0,0|2,0,0]=4 2917 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [0,2,0,0,0,0|1,1,0]=4 2918 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [0,2,0,0,0,0|1,1,0]=4 2919 B11R1.28 CC#CCOC1CCCCC1 34a_100000210231_100000748600 [0,2,0,0,0,0|1,0,1]=4 2920 B11R1.28 CC#CCOC1CCCCC1 34a_100000761923_100000210327 [0,2,0,0,0,0|1,0,1]=4 2921 B11R1.28 CC#CCOC1CCCCC1 7a_100000210231_100000748600 [0,2,0,0,0,0|1,0,1]=4 2922 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [0,2,0,0,0,0|2,0,0]=4 2923 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [0,2,0,0,0,0|2,0,0]=4 2924 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [0,2,0,0,0,0|1,0,0]=3 2925 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [0,2,0,0,0,0|1,0,0]=3 2926 B11R1.28 CC=CCOC1CCCCO1 34a_100000033831_100000070051 [0,2,0,0,0,0|2,0,0]=4 2927 B11R1.28 CC=CCOC1CCCOC1 34a_100000754041_100000070051 [0,2,0,0,0,0|2,0,0]=4 2928 B11R1.28 CC=CCOC1CCCSC1 7a_100015962668_100000070051 [0,2,0,0,0,0|2,0,0]=4 2929 B11R1.28 CC=CCOC1CCOCC1 34a_100000744328_100000070051 [0,2,0,0,0,0|2,0,0]=4 2930 B11R1.28 CC=CCOC1CCSCC1 34a_100000731022_100000070051 [0,2,0,0,0,0|2,0,0]=4 2931 B11R1.28 CC=CCOC1CCSCC1 7a_100000731022_100000070051 [0,2,0,0,0,0|2,0,0]=4 2932 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [0,2,0,0,0,0|1,1,0]=4 2933 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [0,2,0,0,0,0|1,1,0]=4 2934 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [0,2,0,0,0,0|2,0,0]=4 2935 B11R1.28 CCC=NNC1CCCCC1 4a_100000709804_100000210100 [0,2,0,0,0,0|2,0,0]=4 2936 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [0,2,0,0,0,0|1,0,1]=4 2937 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [0,2,0,0,0,0|1,0,1]=4 2938 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [0,2,0,0,0,0|1,0,1]=4 2939 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [0,2,0,0,0,0|1,0,1]=4 2940 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [0,2,0,0,0,0|1,0,1]=4 2941 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [0,2,0,0,0,0|1,0,1]=4 2942 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [0,2,0,0,0,0|1,0,1]=4 2943 B11R1.28 CCNCOC1CCCCC1 2230a_100015525214_100011935260 [0,2,0,0,0,0|1,0,1]=4 2944 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [0,2,0,0,0,0|1,0,1]=4 2945 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [0,2,0,0,0,0|1,0,1]=4 2946 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [0,2,0,0,0,0|1,0,1]=4 2947 B11R1.28 CCOCOC1CCCCC1 34a_100121572206_100011935260 [0,2,0,0,0,0|0,0,2]=4 2948 B11R1.28 CCOCSC1CCCCC1 62a_100000210327_100000739092 [0,2,0,0,0,0|1,0,1]=4 2949 B11R1.28 CCOCSC1CCCCC1 62a_100000739092_100000210327 [0,2,0,0,0,0|1,0,1]=4 2950 B11R1.28 CCSCOC1CCCCC1 62a_100000210202_100011935260 [0,2,0,0,0,0|0,1,1]=4 2951 B11R1.28 CCSCOC1CCCCC1 62a_100011935260_100000210202 [0,2,0,0,0,0|0,1,1]=4 2952 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [0,2,0,0,0,0|1,0,1]=4 2953 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [0,2,0,0,0,0|1,0,1]=4 2954 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [0,2,0,0,0,0|1,0,1]=4 2955 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [0,2,0,0,0,0|1,0,1]=4 2956 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [0,2,0,0,0,0|0,0,2]=4 2957 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [0,2,0,0,0,0|0,0,2]=4 2958 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [0,2,0,0,0,0|0,0,2]=4 2959 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [0,2,0,0,0,0|0,0,2]=4 2960 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [0,2,0,0,0,0|0,0,2]=4 2961 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [0,2,0,0,0,0|0,0,2]=4 2962 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [0,2,0,0,0,0|0,1,1]=4 2963 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [0,2,0,0,0,0|0,1,1]=4 2964 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [0,2,0,0,0,0|0,1,1]=4 2965 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [0,2,0,0,0,0|0,1,1]=4 2966 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [0,2,0,0,0,0|0,1,1]=4 2967 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [0,2,0,0,0,0|0,1,1]=4 2968 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [0,2,0,0,0,0|0,1,1]=4 2969 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [0,2,0,0,0,0|1,0,1]=4 2970 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [0,2,0,0,0,0|1,0,1]=4 2971 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [0,2,0,0,0,0|1,0,1]=4 2972 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [0,2,0,0,0,0|1,0,1]=4 2973 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [0,2,0,0,0,0|1,0,1]=4 2974 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [0,2,0,0,0,0|1,0,1]=4 2975 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [0,2,0,0,0,0|1,0,1]=4 2976 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [0,2,0,0,0,0|1,0,1]=4 2977 B11R1.28 FCSCOC1CCCCC1 62a_100011935260_100015361967 [0,2,0,0,0,0|0,1,1]=4 2978 B11R1.28 FCSCOC1CCCCC1 62a_100015361967_100011935260 [0,2,0,0,0,0|0,1,1]=4 2979 B11R1.28 N#CCCOC1CCCCC1 7a_100000210231_100000184422 [0,2,0,0,0,0|1,0,1]=4 2980 B11R1.28 N#CCOCC1CCCCC1 7a_100000212181_100011215382 [0,2,0,0,0,0|1,0,1]=4 2981 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [0,2,0,0,0,0|1,0,1]=4 2982 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [0,2,0,0,0,0|1,0,1]=4 2983 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [0,2,0,0,0,0|0,0,2]=4 2984 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [0,2,0,0,0,0|1,0,0]=3 2985 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [0,2,0,0,0,0|1,0,0]=3 2986 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [0,2,0,0,0,0|2,0,0]=4 2987 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [0,2,0,0,0,0|2,0,0]=4 2988 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [0,2,0,0,0,0|2,0,0]=4 2989 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [0,2,0,0,0,0|2,0,0]=4 2990 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [0,2,0,0,0,0|2,0,0]=4 2991 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [0,2,0,0,0,0|2,0,0]=4 2992 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [0,2,0,0,0,0|2,0,0]=4 2993 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [0,2,0,0,0,0|2,0,0]=4 2994 B11R1.28 O=CCOCC1CC=CCC1 34a_100000210713_200009817547 [0,2,0,0,0,0|0,0,2]=4 2995 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [0,2,0,0,0,0|0,0,0]=2 2996 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [0,2,0,0,0,0|0,0,0]=2 2997 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [0,2,0,0,0,0|1,0,0]=3 2998 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [0,2,0,0,0,0|1,0,0]=3 2999 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [0,2,0,0,0,0|1,0,0]=3 3000 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [0,2,0,0,0,0|1,0,0]=3 3001 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [0,2,0,0,0,0|1,0,0]=3 3002 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [0,2,0,0,0,0|1,0,0]=3 3003 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [0,2,0,0,0,0|1,0,0]=3 3004 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [0,2,0,0,0,0|1,0,0]=3 3005 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [0,2,0,0,0,0|1,0,0]=3 3006 B11R1.28 O=CCOC[C@@H]1CNCCO1 34a_100015189573_200009817547 [0,2,0,0,0,0|2,0,0]=4 3007 B11R1.28 O=CCOC[C@@H]1COCCN1 34a_100000717676_200009817547 [0,2,0,0,0,0|2,0,0]=4 3008 B11R1.28 O=CCOC[C@H]1COCCO1 34a_100009875890_200009817547 [0,2,0,0,0,0|2,0,0]=4 3009 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [0,2,0,0,0,0|0,1,0]=3 3010 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [0,2,0,0,0,0|0,1,0]=3 3011 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [0,2,0,0,0,0|1,1,0]=4 3012 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [0,2,0,0,0,0|1,1,0]=4 3013 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [0,2,0,0,0,0|1,1,0]=4 3014 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [0,2,0,0,0,0|1,1,0]=4 3015 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [0,2,0,0,0,0|1,1,0]=4 3016 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [0,2,0,0,0,0|1,1,0]=4 3017 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,2,0,0,0,0|0,0,2]=4 3018 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,2,0,0,0,0|0,0,2]=4 3019 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,2,0,0,0,0|0,0,2]=4 3020 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,2,0,0,0,0|0,0,2]=4 3021 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [0,2,0,0,0,0|1,0,1]=4 3022 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [0,2,0,0,0,0|0,0,2]=4 3023 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [0,2,0,0,0,0|0,0,2]=4 3024 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [0,2,0,0,0,0|0,1,1]=4 3025 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [0,2,0,0,0,0|0,1,1]=4 3026 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,2,0,0,0,0|1,0,0]=3 3027 B11R1.40 C#CC(=O)CC1CCCCO1 1458a_100000211873_100000211543 [0,2,0,0,0,0|2,0,0]=4 3028 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,2,0,0,0,0|2,0,0]=4 3029 B11R1.40 C#CC(=O)CC1CCOCC1 1458a_100000211873_100000754603 [0,2,0,0,0,0|2,0,0]=4 3030 B11R1.40 C#CC(C)OC1CCCCC1 34a_100000210231_200000035995 [0,2,0,0,0,0|1,0,1]=4 3031 B11R1.40 C#C[C@@H](C)OC1CCCCC1 34a_100009815206_100000210327 [0,2,0,0,0,0|1,0,1]=4 3032 B11R1.40 C#C[C@@H](C)OC1CCCCC1 7a_100009815206_100000210327 [0,2,0,0,0,0|1,0,1]=4 3033 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,2,0,0,0,0|1,0,0]=3 3034 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,2,0,0,0,0|2,0,0]=4 3035 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,2,0,0,0,0|2,0,0]=4 3036 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,2,0,0,0,0|2,0,0]=4 3037 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,2,0,0,0,0|1,0,0]=3 3038 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,2,0,0,0,0|1,0,0]=3 3039 B11R1.40 C=CC(=O)NC1CCCOC1 1626a_100000719290_100000185746 [0,2,0,0,0,0|2,0,0]=4 3040 B11R1.40 C=CC(=O)NC1CCCOC1 240690a_100000719290_200121576911 [0,2,0,0,0,0|2,0,0]=4 3041 B11R1.40 C=CC(=O)NC1CCOCC1 1626a_100000741149_100000185746 [0,2,0,0,0,0|2,0,0]=4 3042 B11R1.40 C=CC(=O)NC1CCOCC1 240690a_100000741149_200121576911 [0,2,0,0,0,0|2,0,0]=4 3043 B11R1.40 C=CC(=O)NC1CCSCC1 1626a_100000748639_100000185746 [0,2,0,0,0,0|2,0,0]=4 3044 B11R1.40 C=CC(=O)NC1CCSCC1 240690a_100000748639_200121576911 [0,2,0,0,0,0|2,0,0]=4 3045 B11R1.40 C=CC(C)OC1CCCCC1 34a_100000695699_100000210327 [0,2,0,0,0,0|1,0,0]=3 3046 B11R1.40 C=CC(C)OC1CCCOC1 34a_100000695699_100000693364 [0,2,0,0,0,0|2,0,0]=4 3047 B11R1.40 C=CC(C)OC1CCSCC1 34a_100000695699_100000069128 [0,2,0,0,0,0|2,0,0]=4 3048 B11R1.40 C=CC(C)SC1CCCCC1 62a_100011215867_100000210327 [0,2,0,0,0,0|1,1,0]=4 3049 B11R1.40 CC(C#N)OC1CCCCC1 34a_100011218135_100000210327 [0,2,0,0,0,0|1,0,1]=4 3050 B11R1.40 CC(C#N)OC1CCCCC1 7a_100000210231_100000703298 [0,2,0,0,0,0|1,0,1]=4 3051 B11R1.40 CC(CF)OC1CCCCC1 34a_100016041109_100000210327 [0,2,0,0,0,0|1,0,1]=4 3052 B11R1.40 CC(CF)OC1CCCCC1 7a_100016041109_100000210327 [0,2,0,0,0,0|1,0,1]=4 3053 B11R1.40 CC(CN)OC1CCCCC1 34a_100000210904_100000210327 [0,2,0,0,0,0|1,0,1]=4 3054 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [0,2,0,0,0,0|0,0,2]=4 3055 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [0,2,0,0,0,0|0,0,2]=4 3056 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,2,0,0,0,0|1,0,1]=4 3057 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,2,0,0,0,0|1,0,0]=3 3058 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,2,0,0,0,0|1,0,0]=3 3059 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,2,0,0,0,0|2,0,0]=4 3060 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,2,0,0,0,0|2,0,0]=4 3061 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,2,0,0,0,0|2,0,0]=4 3062 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,2,0,0,0,0|2,0,0]=4 3063 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,2,0,0,0,0|2,0,0]=4 3064 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,2,0,0,0,0|2,0,0]=4 3065 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,2,0,0,0,0|2,0,0]=4 3066 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,2,0,0,0,0|1,0,0]=3 3067 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,2,0,0,0,0|1,0,0]=3 3068 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,2,0,0,0,0|1,0,0]=3 3069 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,2,0,0,0,0|1,0,0]=3 3070 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,2,0,0,0,0|2,0,0]=4 3071 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,2,0,0,0,0|2,0,0]=4 3072 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,2,0,0,0,0|2,0,0]=4 3073 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,2,0,0,0,0|2,0,0]=4 3074 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [0,2,0,0,0,0|2,0,0]=4 3075 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [0,2,0,0,0,0|2,0,0]=4 3076 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [0,2,0,0,0,0|2,0,0]=4 3077 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [0,2,0,0,0,0|2,0,0]=4 3078 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [0,2,0,0,0,0|2,0,0]=4 3079 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [0,2,0,0,0,0|2,0,0]=4 3080 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [0,2,0,0,0,0|2,0,0]=4 3081 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [0,2,0,0,0,0|2,0,0]=4 3082 B11R1.40 CCC(C)OC1CCCCC1 34a_100000210231_100011215416 [0,2,0,0,0,0|1,0,1]=4 3083 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210228_100000210327 [0,2,0,0,0,0|1,0,1]=4 3084 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210231_100000758301 [0,2,0,0,0,0|1,0,1]=4 3085 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,2,0,0,0,0|1,0,1]=4 3086 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,2,0,0,0,0|1,0,1]=4 3087 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,2,0,0,0,0|1,0,1]=4 3088 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,2,0,0,0,0|1,0,0]=3 3089 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,2,0,0,0,0|1,0,0]=3 3090 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,2,0,0,0,0|1,0,0]=3 3091 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,2,0,0,0,0|1,0,0]=3 3092 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,2,0,0,0,0|2,0,0]=4 3093 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,2,0,0,0,0|2,0,0]=4 3094 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,2,0,0,0,0|2,0,0]=4 3095 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,2,0,0,0,0|2,0,0]=4 3096 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,2,0,0,0,0|2,0,0]=4 3097 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,2,0,0,0,0|2,0,0]=4 3098 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,2,0,0,0,0|2,0,0]=4 3099 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,2,0,0,0,0|2,0,0]=4 3100 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [0,2,0,0,0,0|2,0,0]=4 3101 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [0,2,0,0,0,0|2,0,0]=4 3102 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [0,2,0,0,0,0|2,0,0]=4 3103 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [0,2,0,0,0,0|2,0,0]=4 3104 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,2,0,0,0,0|2,0,0]=4 3105 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,2,0,0,0,0|2,0,0]=4 3106 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,2,0,0,0,0|2,0,0]=4 3107 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,2,0,0,0,0|1,0,0]=3 3108 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,2,0,0,0,0|1,0,0]=3 3109 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,2,0,0,0,0|1,0,0]=3 3110 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,2,0,0,0,0|1,0,0]=3 3111 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,2,0,0,0,0|2,0,0]=4 3112 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,2,0,0,0,0|2,0,0]=4 3113 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,2,0,0,0,0|2,0,0]=4 3114 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,2,0,0,0,0|2,0,0]=4 3115 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,2,0,0,0,0|2,0,0]=4 3116 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,2,0,0,0,0|2,0,0]=4 3117 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100000741149_106832991635 [0,2,0,0,0,0|2,0,0]=4 3118 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100102657272_100000741149 [0,2,0,0,0,0|2,0,0]=4 3119 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100000741149_100102657272 [0,2,0,0,0,0|2,0,0]=4 3120 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100102657272_100000741149 [0,2,0,0,0,0|2,0,0]=4 3121 B11R1.40 CNC(=O)NC1CCOCC1 512a_100000741149_100102657272 [0,2,0,0,0,0|2,0,0]=4 3122 B11R1.40 CNC(=O)NC1CCOCC1 512a_106832991638_100000741149 [0,2,0,0,0,0|2,0,0]=4 3123 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100000748639_106832991635 [0,2,0,0,0,0|2,0,0]=4 3124 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100102657272_100000748639 [0,2,0,0,0,0|2,0,0]=4 3125 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100000748639_100102657272 [0,2,0,0,0,0|2,0,0]=4 3126 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100102657272_100000748639 [0,2,0,0,0,0|2,0,0]=4 3127 B11R1.40 CNC(=O)NC1CCSCC1 512a_100000748639_100102657272 [0,2,0,0,0,0|2,0,0]=4 3128 B11R1.40 CNC(=O)NC1CCSCC1 512a_106832991638_100000748639 [0,2,0,0,0,0|2,0,0]=4 3129 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,2,0,0,0,0|1,0,1]=4 3130 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,2,0,0,0,0|1,0,0]=3 3131 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,2,0,0,0,0|2,0,0]=4 3132 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,2,0,0,0,0|2,0,0]=4 3133 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [0,2,0,0,0,0|2,0,0]=4 3134 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [0,2,0,0,0,0|2,0,0]=4 3135 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,2,0,0,0,0|1,0,0]=3 3136 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,2,0,0,0,0|2,0,0]=4 3137 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,2,0,0,0,0|2,0,0]=4 3138 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,2,0,0,0,0|2,0,0]=4 3139 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,2,0,0,0,0|1,0,0]=3 3140 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,2,0,0,0,0|1,0,0]=3 3141 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,2,0,0,0,0|2,0,0]=4 3142 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,2,0,0,0,0|2,0,0]=4 3143 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [0,2,0,0,0,0|2,0,0]=4 3144 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [0,2,0,0,0,0|2,0,0]=4 3145 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [0,2,0,0,0,0|2,0,0]=4 3146 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [0,2,0,0,0,0|2,0,0]=4 3147 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,2,0,0,0,0|2,0,0]=4 3148 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,2,0,0,0,0|2,0,0]=4 3149 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,2,0,0,0,0|1,0,0]=3 3150 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,2,0,0,0,0|1,0,0]=3 3151 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,2,0,0,0,0|1,0,0]=3 3152 B11R1.91 C=C(C)COC1CCCCO1 34a_100000033831_100000748629 [0,2,0,0,0,0|2,0,0]=4 3153 B11R1.91 C=C(C)COC1CCCOC1 34a_100000210245_100000693364 [0,2,0,0,0,0|2,0,0]=4 3154 B11R1.91 C=C(C)COC1CCCOC1 34a_100000754041_100000748629 [0,2,0,0,0,0|2,0,0]=4 3155 B11R1.91 C=C(C)COC1CCCSC1 7a_100015962668_100000748629 [0,2,0,0,0,0|2,0,0]=4 3156 B11R1.91 C=C(C)COC1CCOCC1 34a_100000744328_100000748629 [0,2,0,0,0,0|2,0,0]=4 3157 B11R1.91 C=C(C)COC1CCSCC1 34a_100000210245_100000069128 [0,2,0,0,0,0|2,0,0]=4 3158 B11R1.91 C=C(C)COC1CCSCC1 34a_100000731022_100000748629 [0,2,0,0,0,0|2,0,0]=4 3159 B11R1.91 C=C(C)COC1CCSCC1 7a_100000731022_100000748629 [0,2,0,0,0,0|2,0,0]=4 3160 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,2,0,0,0,0|1,1,0]=4 3161 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,2,0,0,0,0|1,1,0]=4 3162 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [0,2,0,0,0,0|2,0,0]=4 3163 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [0,2,0,0,0,0|2,0,0]=4 3164 B11R1.91 C=C(F)COC1CCCCC1 34a_100000210231_100009893438 [0,2,0,0,0,0|1,0,0]=3 3165 B11R1.91 C=C(F)COC1CCCCC1 34a_200010262243_100000210327 [0,2,0,0,0,0|1,0,0]=3 3166 B11R1.91 C=C(F)COC1CCCCC1 7a_100000210231_100000042424 [0,2,0,0,0,0|1,0,0]=3 3167 B11R1.91 C=C(F)COC1CCCCO1 34a_100000033831_100009893438 [0,2,0,0,0,0|2,0,0]=4 3168 B11R1.91 C=C(F)COC1CCCOC1 34a_100000754041_100009893438 [0,2,0,0,0,0|2,0,0]=4 3169 B11R1.91 C=C(F)COC1CCCOC1 34a_200010262243_100000693364 [0,2,0,0,0,0|2,0,0]=4 3170 B11R1.91 C=C(F)COC1CCCSC1 7a_100015962668_100000042424 [0,2,0,0,0,0|2,0,0]=4 3171 B11R1.91 C=C(F)COC1CCOCC1 34a_100000744328_100009893438 [0,2,0,0,0,0|2,0,0]=4 3172 B11R1.91 C=C(F)COC1CCSCC1 34a_100000731022_100009893438 [0,2,0,0,0,0|2,0,0]=4 3173 B11R1.91 C=C(F)COC1CCSCC1 34a_200010262243_100000069128 [0,2,0,0,0,0|2,0,0]=4 3174 B11R1.91 C=C(F)COC1CCSCC1 7a_100000731022_100000042424 [0,2,0,0,0,0|2,0,0]=4 3175 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000042424_100000210327 [0,2,0,0,0,0|1,1,0]=4 3176 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000210327_100000042424 [0,2,0,0,0,0|1,1,0]=4 3177 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,2,0,0,0,0|1,0,0]=3 3178 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,2,0,0,0,0|1,0,0]=3 3179 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,2,0,0,0,0|1,0,0]=3 3180 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,2,0,0,0,0|2,0,0]=4 3181 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,2,0,0,0,0|2,0,0]=4 3182 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,2,0,0,0,0|2,0,0]=4 3183 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,2,0,0,0,0|0,0,0]=2 3184 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,2,0,0,0,0|0,0,0]=2 3185 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,2,0,0,0,0|0,0,0]=2 3186 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,2,0,0,0,0|1,0,0]=3 3187 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,2,0,0,0,0|1,0,0]=3 3188 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,2,0,0,0,0|1,0,0]=3 3189 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,2,0,0,0,0|1,0,0]=3 3190 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,2,0,0,0,0|1,0,0]=3 3191 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,2,0,0,0,0|1,0,0]=3 3192 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,2,0,0,0,0|2,0,0]=4 3193 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,2,0,0,0,0|2,0,0]=4 3194 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,2,0,0,0,0|2,0,0]=4 3195 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,2,0,0,0,0|2,0,0]=4 3196 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,2,0,0,0,0|2,0,0]=4 3197 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,2,0,0,0,0|2,0,0]=4 3198 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,2,0,0,0,0|2,0,0]=4 3199 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,2,0,0,0,0|2,0,0]=4 3200 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,2,0,0,0,0|2,0,0]=4 3201 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,2,0,0,0,0|2,0,0]=4 3202 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,2,0,0,0,0|2,0,0]=4 3203 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,2,0,0,0,0|2,0,0]=4 3204 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,2,0,0,0,0|2,0,0]=4 3205 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,2,0,0,0,0|2,0,0]=4 3206 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,2,0,0,0,0|2,0,0]=4 3207 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [0,2,0,0,0,0|1,0,1]=4 3208 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,2,0,0,0,0|1,0,0]=3 3209 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [0,2,0,0,0,0|2,0,0]=4 3210 B11R1.91 CC(=O)OCN1CCCOC1 269982a_100000131196_100000076356 [0,2,0,0,0,0|2,0,0]=4 3211 B11R1.91 CC(=O)OCN1CCCOC1 34a_100000131196_100009813279 [0,2,0,0,0,0|2,0,0]=4 3212 B11R1.91 CC(=O)OCN1CCOCC1 269982a_100015191051_100000076356 [0,2,0,0,0,0|2,0,0]=4 3213 B11R1.91 CC(=O)OCN1CCOCC1 34a_100015191051_100009813279 [0,2,0,0,0,0|2,0,0]=4 3214 B11R1.91 CC(=O)OCN1CCSCC1 269982a_100000737611_100000076356 [0,2,0,0,0,0|2,0,0]=4 3215 B11R1.91 CC(Br)COC1CCCCC1 34a_100012180447_100000210327 [0,2,0,0,0,0|1,0,1]=4 3216 B11R1.91 CC(C)COC1CCCCC1 34a_100000210231_100000210624 [0,2,0,0,0,0|1,0,1]=4 3217 B11R1.91 CC(C)COC1CCCCC1 34a_100000210257_100000210327 [0,2,0,0,0,0|1,0,1]=4 3218 B11R1.91 CC(C)COC1CCCCC1 7a_100000210231_100000210760 [0,2,0,0,0,0|1,0,1]=4 3219 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212181_100000210206 [0,2,0,0,0,0|1,0,1]=4 3220 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212225_100000211423 [0,2,0,0,0,0|1,0,1]=4 3221 B11R1.91 CC(C)OCC1CCCCC1 7a_100000212181_100000210206 [0,2,0,0,0,0|1,0,1]=4 3222 B11R1.91 CC(F)COC1CCCCC1 34a_100015925927_100000210327 [0,2,0,0,0,0|1,0,1]=4 3223 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,2,0,0,0,0|0,0,2]=4 3224 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,2,0,0,0,0|0,0,2]=4 3225 B11R1.91 CN(C)COC1CCCCC1 2230a_100102631434_100011935260 [0,2,0,0,0,0|1,0,1]=4 3226 B11R1.91 CN(C)COC1CCCCC1 269982a_100102631434_100011935260 [0,2,0,0,0,0|1,0,1]=4 3227 B11R1.91 C[C@@H](Cl)COC1CCCCC1 34a_100016084084_100000210327 [0,2,0,0,0,0|1,0,1]=4 3228 B11R1.91 C[C@@H](N)COC1CCCCC1 34a_100000737577_100000210327 [0,2,0,0,0,0|1,0,1]=4 3229 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,2,0,0,0,0|0,0,2]=4 3230 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,2,0,0,0,0|0,0,2]=4 3231 B11R1.91 FC(F)COC1CCCCC1 34a_100000210231_100011934356 [0,2,0,0,0,0|1,0,1]=4 3232 B11R1.91 FC(F)COC1CCCCC1 34a_100000743014_100000210327 [0,2,0,0,0,0|1,0,1]=4 3233 B11R1.91 FC(F)COC1CCCCC1 7a_100000210231_100011934356 [0,2,0,0,0,0|1,0,1]=4 3234 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,2,0,0,0,0|1,0,0]=3 3235 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,2,0,0,0,0|1,0,0]=3 3236 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,2,0,0,0,0|2,0,0]=4 3237 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,2,0,0,0,0|2,0,0]=4 3238 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [0,2,0,0,0,0|2,0,0]=4 3239 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [0,2,0,0,0,0|2,0,0]=4 3240 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [0,2,0,0,0,0|2,0,0]=4 3241 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [0,2,0,0,0,0|2,0,0]=4 3242 B11R1.91 NC(=O)COC1C=CCCC1 34a_100011215024_100000187820 [0,2,0,0,0,0|0,0,2]=4 3243 B11R1.91 NC(=O)COC1CC=CCC1 34a_100000073881_100000187820 [0,2,0,0,0,0|0,0,2]=4 3244 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,2,0,0,0,0|0,0,0]=2 3245 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,2,0,0,0,0|0,0,0]=2 3246 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [0,2,0,0,0,0|1,0,0]=3 3247 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,2,0,0,0,0|1,0,0]=3 3248 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [0,2,0,0,0,0|1,0,0]=3 3249 B11R1.91 NC(=O)COC1CCOCC1 34a_100000744328_100000187820 [0,2,0,0,0,0|1,0,0]=3 3250 B11R1.91 NC(=O)COC1CCSCC1 34a_100000731022_100000187820 [0,2,0,0,0,0|1,0,0]=3 3251 B11R1.91 NC(=O)COC1CCSCC1 7a_100000731022_100000187820 [0,2,0,0,0,0|1,0,0]=3 3252 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,2,0,0,0,0|0,1,0]=3 3253 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,2,0,0,0,0|0,1,0]=3 3254 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,2,0,0,0,0|1,1,0]=4 3255 B11R1.91 NC(=O)CSC1CCOCC1 62a_100000747473_100011324220 [0,2,0,0,0,0|1,1,0]=4 3256 B11R1.91 NC(=O)CSC1CCSCC1 62a_100000747473_100000069128 [0,2,0,0,0,0|1,1,0]=4 3257 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,2,0,0,0,0|1,0,0]=3 3258 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,2,0,0,0,0|2,0,0]=4 3259 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,2,0,0,0,0|2,0,0]=4 3260 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,2,0,0,0,0|2,0,0]=4 3261 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,2,0,0,0,0|1,0,0]=3 3262 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,2,0,0,0,0|2,0,0]=4 3263 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [0,2,0,0,0,0|2,0,0]=4 3264 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [0,2,0,0,0,0|2,0,0]=4 3265 B11R1.91 O=C([O-])COC1C=CCCC1 34a_100011215024_100020667443 [0,2,0,0,0,0|0,0,2]=4 3266 B11R1.91 O=C([O-])COC1CC=CCC1 34a_100000073881_100020667443 [0,2,0,0,0,0|0,0,2]=4 3267 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,2,0,0,0,0|0,0,0]=2 3268 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [0,2,0,0,0,0|1,0,0]=3 3269 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,2,0,0,0,0|1,0,0]=3 3270 B11R1.91 O=C([O-])COC1CCOCC1 34a_100000744328_100020667443 [0,2,0,0,0,0|1,0,0]=3 3271 B11R1.91 O=C([O-])COC1CCSCC1 34a_100000731022_100020667443 [0,2,0,0,0,0|1,0,0]=3 3272 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,2,0,0,0,0|0,1,0]=3 3273 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,2,0,0,0,0|0,1,0]=3 3274 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,2,0,0,0,0|1,1,0]=4 3275 B11R1.91 O=C([O-])CSC1CCOCC1 62a_100020667443_100011324220 [0,2,0,0,0,0|1,1,0]=4 3276 B11R1.91 O=C([O-])CSC1CCSCC1 62a_100020667443_100000069128 [0,2,0,0,0,0|1,1,0]=4 3277 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [0,2,0,0,0,0|1,0,1]=4 3278 B11R1.91 O=[N+]([O-])COC1CCCCC1 34a_100000210231_100000761209 [0,2,0,0,0,0|0,0,1]=3 3279 B11R1.91 O=[N+]([O-])COC1CCCCO1 34a_100000033831_100000761209 [0,2,0,0,0,0|1,0,1]=4 3280 B11R1.91 O=[N+]([O-])COC1CCCOC1 34a_100000754041_100000761209 [0,2,0,0,0,0|1,0,1]=4 3281 B11R1.91 O=[N+]([O-])COC1CCOCC1 34a_100000744328_100000761209 [0,2,0,0,0,0|1,0,1]=4 3282 B11R1.91 O=[N+]([O-])COC1CCSCC1 34a_100000731022_100000761209 [0,2,0,0,0,0|1,0,1]=4 3283 B11R1.91 O=[N+]([O-])CSC1CCCCC1 62a_100000210327_100000761209 [0,2,0,0,0,0|0,1,1]=4 3284 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,2,0,0,0,0|1,0,0]=3 3285 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,2,0,0,0,0|1,0,0]=3 3286 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,2,0,0,0,0|2,0,0]=4 3287 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,2,0,0,0,0|0,0,0]=2 3288 B11R1.900 C#CCOC1(CCCCC1)C 34a_100011215885_100000184674 [0,2,0,0,0,0|1,0,1]=4 3289 B11R1.900 C#CCOC1(CCCCC1)C 7a_100011215885_100000038162 [0,2,0,0,0,0|1,0,1]=4 3290 B11R1.900 C=CCNC1(CCCCC1)C 2230a_100000741114_100000210623 [0,2,0,0,0,0|2,0,0]=4 3291 B11R1.900 C=CCNC1(CCCCC1)C 34a_100000741114_100015514636 [0,2,0,0,0,0|2,0,0]=4 3292 B11R1.900 C=CCOC1(CCCCC1)C 34a_100011215885_100015514636 [0,2,0,0,0,0|1,0,0]=3 3293 B11R1.900 C=CCOC1(CCCCC1)C 7a_100011215885_100015514636 [0,2,0,0,0,0|1,0,0]=3 3294 B11R1.900 C=CCOC1(CCOCC1)C 34a_100011827762_100015514636 [0,2,0,0,0,0|2,0,0]=4 3295 B11R1.900 C=CCOC1(CCOCC1)C 7a_100011827762_100015514636 [0,2,0,0,0,0|2,0,0]=4 3296 B11R1.900 C=CCOC1(CCSCC1)C 34a_200011004327_100015514636 [0,2,0,0,0,0|2,0,0]=4 3297 B11R1.900 C=CCOC1(CCSCC1)C 7a_200011004327_100015514636 [0,2,0,0,0,0|2,0,0]=4 3298 B11R1.900 CC1(CCCCC1)COCF 34a_100000688186_100015361967 [0,2,0,0,0,0|1,0,1]=4 3299 B11R1.900 CC1(CCCCC1)COCF 7a_100000688186_100015361967 [0,2,0,0,0,0|1,0,1]=4 3300 B11R1.900 CC1(CCCCC1)NCC=O 2230a_100000741114_200015260668 [0,2,0,0,0,0|1,0,0]=3 3301 B11R1.900 CC1(CCCCC1)NCC=O 34a_100000741114_200009817547 [0,2,0,0,0,0|1,0,0]=3 3302 B11R1.900 CC1(CCCCC1)OCC#N 7a_100011215885_100011215382 [0,2,0,0,0,0|1,0,1]=4 3303 B11R1.900 CC1(CCCCC1)OCC=O 34a_100011215885_200009817547 [0,2,0,0,0,0|0,0,0]=2 3304 B11R1.900 CC1(CCCCC1)OCC=O 7a_100011215885_200015260668 [0,2,0,0,0,0|0,0,0]=2 3305 B11R1.900 CC1(CCCCC1)OCCF 34a_100011215885_100011217306 [0,2,0,0,0,0|1,0,1]=4 3306 B11R1.900 CC1(CCCCC1)OCCF 7a_100011215885_100011217306 [0,2,0,0,0,0|1,0,1]=4 3307 B11R1.900 CC1(CCCCC1)OCCO 34a_100011215885_100000211926 [0,2,0,0,0,0|0,0,2]=4 3308 B11R1.900 CC1(CCCCC1)OCCO 7a_100011215885_100000211926 [0,2,0,0,0,0|0,0,2]=4 3309 B11R1.900 CC1(CCOCC1)NCC=O 2230a_100000692449_200015260668 [0,2,0,0,0,0|2,0,0]=4 3310 B11R1.900 CC1(CCOCC1)NCC=O 34a_100000692449_200009817547 [0,2,0,0,0,0|2,0,0]=4 3311 B11R1.900 CC1(CCOCC1)OCC=O 34a_100011827762_200009817547 [0,2,0,0,0,0|1,0,0]=3 3312 B11R1.900 CC1(CCOCC1)OCC=O 7a_100011827762_200015260668 [0,2,0,0,0,0|1,0,0]=3 3313 B11R1.900 CC1(CCSCC1)OCC=O 34a_200011004327_200009817547 [0,2,0,0,0,0|1,0,0]=3 3314 B11R1.900 CC1(CCSCC1)OCC=O 7a_200011004327_200015260668 [0,2,0,0,0,0|1,0,0]=3 3315 B11R1.900 CCCOC1(CCCCC1)C 34a_100011215885_100000210303 [0,2,0,0,0,0|1,0,1]=4 3316 B11R1.900 CCCOC1(CCCCC1)C 7a_100011215885_100000210303 [0,2,0,0,0,0|1,0,1]=4 3317 B11R1.900 CCOCC1(CCCCC1)C 34a_100000688186_100000210202 [0,2,0,0,0,0|1,0,1]=4 3318 B11R1.900 CCOCC1(CCCCC1)C 7a_100000688186_100000210202 [0,2,0,0,0,0|1,0,1]=4 3319 B11R1.900 CCOCC1(CCCCC1)F 34a_100000090305_100000210202 [0,2,0,0,0,0|1,0,1]=4 3320 B11R1.900 CCOCC1(CCCCC1)F 7a_100000090305_100000210202 [0,2,0,0,0,0|1,0,1]=4 3321 B11R1.900 CCOCC1(CCCCC1)N 34a_100000740034_100000210202 [0,2,0,0,0,0|1,0,1]=4 3322 B11R1.900 CSCOC1(CCCCC1)C 34a_100011215885_100011218213 [0,2,0,0,0,0|0,1,1]=4 3323 B11R1.900 FCOCC1(CCCCC1)F 34a_100000090305_100015361967 [0,2,0,0,0,0|1,0,1]=4 3324 B11R1.900 FCOCC1(CCCCC1)F 7a_100000090305_100015361967 [0,2,0,0,0,0|1,0,1]=4 3325 B11R1.900 NC1(CCCCC1)COCF 34a_100000740034_100015361967 [0,2,0,0,0,0|1,0,1]=4 3326 B11R1.509 CC(C)(C)OC1CCCCC1 34a_100000210231_100000210625 [0,2,0,0,0,0|1,0,1]=4 3327 B11R1.509 CC(C)(C)OC1CCCCC1 34a_100015890283_100000210327 [0,2,0,0,0,0|1,0,1]=4 3328 B11R1.509 CC(C)(C)OC1CCCCC1 7a_100015890283_100000210327 [0,2,0,0,0,0|1,0,1]=4 3329 B11R1.509 CS(=O)(=O)NC1CCCCC1 40a_100000182618_100000738038 [0,2,0,0,0,0|2,0,0]=4 3330 B11R1.509 FC(F)(F)OC1CCCCC1 34a_100000210231_200103152311 [0,2,0,0,0,0|1,0,1]=4 3331 B11R1.509 FC(F)(F)OC1CCCCC1 7a_100000210231_200000243211 [0,2,0,0,0,0|1,0,1]=4 3332 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,2,0,0,0,0|1,0,0]=3 3333 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,2,0,0,0,0|1,0,0]=3 3334 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,2,0,0,0,0|1,0,0]=3 3335 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,2,0,0,0,0|1,0,0]=3 3336 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,2,0,0,0,0|1,0,0]=3 3337 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [0,2,0,0,0,0|2,0,0]=4 3338 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [0,2,0,0,0,0|2,0,0]=4 3339 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [0,2,0,0,0,0|2,0,0]=4 3340 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [0,2,0,0,0,0|2,0,0]=4 3341 B11R1.928 CC(C)OC1(CCCCC1)C 34a_100011215885_100000210206 [0,2,0,0,0,0|1,0,1]=4 3342 B11R1.928 CC(C)OC1(CCCCC1)C 7a_100011215885_100000210206 [0,2,0,0,0,0|1,0,1]=4 3343 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,2,0,0,0,0|1,0,0]=3 3344 B11R1.1253 C#CC1(CCCCC1)OCC 34a_100011215672_100000210202 [0,2,0,0,0,0|1,0,1]=4 3345 B11R1.1253 C#CC1(CCCCC1)OCC 7a_100011215672_100000210202 [0,2,0,0,0,0|1,0,1]=4 3346 B11R1.1253 C#CC1(CCCCC1)OCF 34a_100011215672_100015361967 [0,2,0,0,0,0|1,0,1]=4 3347 B11R1.1253 C#CC1(CCCCC1)OCF 7a_100011215672_100015361967 [0,2,0,0,0,0|1,0,1]=4 3348 B11R1.1253 C=CC1(CCCCC1)OCC 34a_200011934219_100000210202 [0,2,0,0,0,0|1,0,1]=4 3349 B11R1.1253 C=CC1(CCCCC1)OCC 7a_200011934219_100000210202 [0,2,0,0,0,0|1,0,1]=4 3350 B11R1.1253 C=CC1(CCCCC1)OCF 34a_200011934219_100015361967 [0,2,0,0,0,0|1,0,1]=4 3351 B11R1.1253 C=CC1(CCCCC1)OCF 7a_200011934219_100015361967 [0,2,0,0,0,0|1,0,1]=4 3352 B11R1.1253 C=CCC1(CCCCC1)OC 34a_200011216858_200000210301 [0,2,0,0,0,0|2,0,0]=4 3353 B11R1.1253 C=CCC1(CCCCC1)OC 7a_200011216858_200000210301 [0,2,0,0,0,0|2,0,0]=4 3354 B11R1.1253 C=CCC1(CCCCC1)O[13CH3] 34a_200011216858_200025704644 [0,2,0,0,0,0|2,0,0]=4 3355 B11R1.1253 C=CCC1(CCCCC1)O[13CH3] 7a_200011216858_200025704644 [0,2,0,0,0,0|2,0,0]=4 3356 B11R1.1253 CCC1(CCCCC1)OCF 34a_100011216009_100015361967 [0,2,0,0,0,0|1,0,1]=4 3357 B11R1.1253 CCC1(CCCCC1)OCF 7a_100011216009_100015361967 [0,2,0,0,0,0|1,0,1]=4 3358 B11R1.1253 CCOC1(CCCCC1)CC 34a_100011216009_100000210202 [0,2,0,0,0,0|1,0,1]=4 3359 B11R1.1253 CCOC1(CCCCC1)CC 7a_100011216009_100000210202 [0,2,0,0,0,0|1,0,1]=4 3360 B11R1.1253 CCOC1(CCCCC1)CN 34a_100000748649_100000210202 [0,2,0,0,0,0|1,0,1]=4 3361 B11R1.1253 NCC1(CCCCC1)OCF 34a_100000748649_100015361967 [0,2,0,0,0,0|1,0,1]=4 3362 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,1,1,0,0|2,0,0]=4 3363 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,1,1,0,0|2,0,0]=4 3364 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,1,1,0,0|2,0,0]=4 3365 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,1,1,0,0|2,0,0]=4 3366 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,1,1,0,0|2,0,0]=4 3367 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,0,1,1,0,0|1,0,0]=3 3368 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,0,1,1,0,0|1,0,0]=3 3369 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,0,1,1,0,0|1,0,0]=3 3370 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,0,1,1,0,0|1,0,0]=3 3371 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,0,1,1,0,0|1,0,0]=3 3372 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,0,1,1,0,0|1,0,0]=3 3373 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,0,1,1,0,0|1,0,0]=3 3374 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,0,1,1,0,0|1,0,0]=3 3375 B9R1.58 CCC1CN(C1)CC=O 2230a_100015205115_200015260668 [0,0,1,1,0,0|2,0,0]=4 3376 B9R1.58 CCC1CN(C1)CC=O 269982a_100015205115_200015260668 [0,0,1,1,0,0|2,0,0]=4 3377 B9R1.73 CC(OCF)C1CCC1 34a_100000766398_100015361967 [0,0,1,1,0,0|1,0,1]=4 3378 B9R1.73 CC(OCF)C1CCC1 7a_100000766398_100015361967 [0,0,1,1,0,0|1,0,1]=4 3379 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,0,1,1,0,0|1,0,1]=4 3380 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,0,1,1,0,0|1,0,1]=4 3381 B9R1.73 CN(CC=O)C1CCC1 2230a_100000758072_200015260668 [0,0,1,1,0,0|2,0,0]=4 3382 B9R1.73 CN(CC=O)C1CCC1 269982a_100000758072_200015260668 [0,0,1,1,0,0|2,0,0]=4 3383 B9R1.73 CN(CC=O)C1CCC1 34a_100000758072_200009817547 [0,0,1,1,0,0|2,0,0]=4 3384 B9R1.75 CN(CC=O)CC1CC1 2230a_100000741881_200015260668 [0,0,1,1,0,0|2,0,0]=4 3385 B9R1.75 CN(CC=O)CC1CC1 269982a_100000741881_200015260668 [0,0,1,1,0,0|2,0,0]=4 3386 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [0,0,1,1,0,0|2,0,0]=4 3387 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [0,0,1,1,0,0|2,0,0]=4 3388 B9R1.17 C=COCCN1CCC1 269982a_100000754969_100000039644 [0,0,1,1,0,0|2,0,0]=4 3389 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [0,0,1,1,0,0|2,0,0]=4 3390 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [0,0,1,1,0,0|2,0,0]=4 3391 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [0,0,1,1,0,0|2,0,0]=4 3392 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [0,0,1,1,0,0|2,0,0]=4 3393 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [0,0,1,1,0,0|2,0,0]=4 3394 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [0,0,1,1,0,0|2,0,0]=4 3395 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,1,1,0,0|2,0,0]=4 3396 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,1,1,0,0|2,0,0]=4 3397 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,1,1,0,0|2,0,0]=4 3398 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,1,1,0,0|2,0,0]=4 3399 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,1,1,0,0|2,0,0]=4 3400 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,1,1,0,0|2,0,0]=4 3401 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,1,1,0,0|2,0,0]=4 3402 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,1,1,0,0|2,0,0]=4 3403 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,1,1,0,0|2,0,0]=4 3404 B9R1.83 C=COCCNC1CC1 34a_100000212008_100000039644 [0,0,1,1,0,0|2,0,0]=4 3405 B9R1.83 C=COCCOC1CC1 34a_100000033082_100000211595 [0,0,1,1,0,0|2,0,0]=4 3406 B9R1.83 C=COCCSC1CC1 62a_100000039644_100000211595 [0,0,1,1,0,0|2,0,0]=4 3407 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,0,1,1,0,0|2,0,0]=4 3408 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [0,0,1,1,0,0|2,0,0]=4 3409 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [0,0,1,1,0,0|2,0,0]=4 3410 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [0,0,1,1,0,0|2,0,0]=4 3411 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [0,0,1,1,0,0|2,0,0]=4 3412 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [0,0,1,1,0,0|2,0,0]=4 3413 B9R1.43 CCC(OCF)C1CC1 34a_100011351122_100015361967 [0,0,1,1,0,0|1,0,1]=4 3414 B9R1.43 CCC(OCF)C1CC1 7a_100011351122_100015361967 [0,0,1,1,0,0|1,0,1]=4 3415 B9R1.43 CCN(CC=O)C1CC1 2230a_100000738653_200015260668 [0,0,1,1,0,0|2,0,0]=4 3416 B9R1.43 CCN(CC=O)C1CC1 269982a_100000738653_200015260668 [0,0,1,1,0,0|2,0,0]=4 3417 B9R1.43 CCOC(CC)C1CC1 34a_100011351122_100000210202 [0,0,1,1,0,0|1,0,1]=4 3418 B9R1.43 CCOC(CC)C1CC1 7a_100011351122_100000210202 [0,0,1,1,0,0|1,0,1]=4 3419 B9R2.24 CN1C2CCC1CC2 2230a_100000735658_200000210301 [1,0,0,1,0,0|1,0,1]=4 3420 B9R2.24 CN1C2CCC1CC2 269982a_100000735658_200000210301 [1,0,0,1,0,0|1,0,1]=4 3421 B9R2.24 CN1C2CCC1CC2 34a_100000735658_200000210301 [1,0,0,1,0,0|1,0,1]=4 3422 B9R2.24 [13CH3]N1C2CCC1CC2 2230a_100000735658_200025704644 [1,0,0,1,0,0|1,0,1]=4 3423 B9R2.24 [13CH3]N1C2CCC1CC2 269982a_100000735658_200025704644 [1,0,0,1,0,0|1,0,1]=4 3424 B9R2.24 [13CH3]N1C2CCC1CC2 34a_100000735658_200025704644 [1,0,0,1,0,0|1,0,1]=4 3425 B9R2.47 CNC1CC2CC2C1 270004a_106832991635_100010340937 [1,0,0,1,0,0|1,0,1]=4 3426 B9R2.70 CNC1CCC2C1C2 269862a_106832991636_100000692480 [1,0,0,1,0,0|1,0,1]=4 3427 B9R2.70 CNC1CCC2C1C2 270004a_106832991635_100000692480 [1,0,0,1,0,0|1,0,1]=4 3428 B9R2.70 COC1CCC2C1C2 34a_200012295571_200000210301 [1,0,0,1,0,0|0,0,1]=3 3429 B9R2.70 [13CH3]OC1CCC2C1C2 34a_200012295571_200025704644 [1,0,0,1,0,0|0,0,1]=3 3430 B11R2.248 CCOC1CC2CCC1C2 34a_100000211339_100000210202 [0,1,0,1,0,0|1,0,1]=4 3431 B11R2.248 CCOC1CC2CCC1C2 34a_100121572206_100000727232 [0,1,0,1,0,0|1,0,1]=4 3432 B11R2.248 FCOC1CC2CCC1C2 34a_100000211339_100015361967 [0,1,0,1,0,0|1,0,1]=4 3433 B11R2.248 O=CCN1CC2CCC1C2 2230a_100000743476_200015260668 [0,1,0,1,0,0|2,0,0]=4 3434 B11R2.248 O=CCN1CC2CCC1C2 269982a_100000743476_200015260668 [0,1,0,1,0,0|2,0,0]=4 3435 B11R2.248 O=CCN1CC2CCC1C2 34a_100000743476_200009817547 [0,1,0,1,0,0|2,0,0]=4 3436 B11R2.76 C=CCN1C2CCC1CC2 2230a_100000735658_100000210623 [0,1,0,1,0,0|2,0,0]=4 3437 B11R2.76 C=CCN1C2CCC1CC2 269982a_100000735658_100000210623 [0,1,0,1,0,0|2,0,0]=4 3438 B11R2.76 C=CCN1C2CCC1CC2 34a_100000735658_100015514636 [0,1,0,1,0,0|2,0,0]=4 3439 B11R2.76 CCOC1C2CCC1CC2 34a_100121572206_100009813300 [0,1,0,1,0,0|1,0,1]=4 3440 B11R2.76 O=CCN1C2CCC1CC2 2230a_100000735658_200015260668 [0,1,0,1,0,0|1,0,0]=3 3441 B11R2.76 O=CCN1C2CCC1CC2 269982a_100000735658_200015260668 [0,1,0,1,0,0|1,0,0]=3 3442 B11R2.76 O=CCN1C2CCC1CC2 34a_100000735658_200009817547 [0,1,0,1,0,0|1,0,0]=3 3443 B11R2.157 C=CCNC1CC2CC2C1 270004a_100020586998_100010340937 [0,1,0,1,0,0|2,0,0]=4 3444 B11R2.238 C1CCC(CC1)OC2CC2 34a_100000210231_100000211595 [0,1,0,1,0,0|1,0,1]=4 3445 B11R2.258 O=CCNC1C2C1COC2 2230a_100000702821_200015260668 [0,1,0,1,0,0|2,0,0]=4 3446 B11R2.258 O=CCNC1C2C1COC2 34a_100000702821_200009817547 [0,1,0,1,0,0|2,0,0]=4 3447 B11R2.927 C#CCOC1CCC2C1C2 34a_200012295571_100000184674 [0,1,0,1,0,0|1,0,1]=4 3448 B11R2.927 C=CCNC1CCC2C1C2 270004a_100020586998_100000692480 [0,1,0,1,0,0|2,0,0]=4 3449 B11R2.927 C=CCOC1CCC2C1C2 34a_200012295571_100015514636 [0,1,0,1,0,0|1,0,0]=3 3450 B11R2.927 CCCOC1CCC2C1C2 34a_200012295571_100000210303 [0,1,0,1,0,0|1,0,1]=4 3451 B11R2.927 CSCOC1CCC2C1C2 34a_200012295571_100011218213 [0,1,0,1,0,0|0,1,1]=4 3452 B11R2.927 FCCOC1CCC2C1C2 34a_200012295571_100011217306 [0,1,0,1,0,0|1,0,1]=4 3453 B11R2.927 O=CCOC1CCC2C1C2 34a_200012295571_200009817547 [0,1,0,1,0,0|0,0,0]=2 3454 B11R2.927 OCCOC1CCC2C1C2 34a_200012295571_100000211926 [0,1,0,1,0,0|0,0,2]=4 3455 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [0,1,0,1,0,0|1,0,0]=3 3456 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [0,1,0,1,0,0|1,0,0]=3 3457 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [0,1,0,1,0,0|1,0,0]=3 3458 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [0,1,0,1,0,0|1,0,0]=3 3459 B11R2.860 CC(=O)NC1C2C1COC2 11a_100000702821_100015343762 [0,1,0,1,0,0|2,0,0]=4 3460 B11R2.860 CC(=O)NC1C2C1COC2 240690a_100000702821_100015343762 [0,1,0,1,0,0|2,0,0]=4 3461 B11R2.860 CC(=O)NC1C2C1COC2 527a_100000702821_100103153847 [0,1,0,1,0,0|2,0,0]=4 3462 B11R2.932 CC(C)OC1CCC2C1C2 34a_200012295571_100000210206 [0,1,0,1,0,0|1,0,1]=4 3463 B11R2.934 NC(=O)CN1CC2CC2C1 2230a_100000741873_100000747473 [0,1,0,1,0,0|2,0,0]=4 3464 B11R2.934 NC(=O)CN1CC2CC2C1 269982a_100000741873_100000187820 [0,1,0,1,0,0|2,0,0]=4 3465 B11R2.934 NC(=O)CN1CC2CC2C1 34a_100000741873_100000187820 [0,1,0,1,0,0|2,0,0]=4 3466 B11R2.934 O=C([O-])CN1CC2CC2C1 269982a_100000741873_100020667443 [0,1,0,1,0,0|2,0,0]=4 3467 B11R2.934 O=C([O-])CN1CC2CC2C1 34a_100000741873_100020667443 [0,1,0,1,0,0|2,0,0]=4 3468 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,1,0,1,0,0|1,0,0]=3 3469 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,1,0,1,0,0|1,0,0]=3 3470 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,0,1,0|1,0,1]=4 3471 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,0,1,0|1,0,1]=4 3472 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,0,1,0|1,0,1]=4 3473 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,0,1,0|1,0,1]=4 3474 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,0,1,0|1,0,1]=4 3475 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,0,1,0|1,0,1]=4 3476 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,0,1,0|0,0,1]=3 3477 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,0,1,0|0,0,1]=3 3478 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,0,1,0|0,0,1]=3 3479 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,0,1,0|1,0,1]=4 3480 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,0,0,0,1,0|1,0,1]=4 3481 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,0,1,0|1,0,1]=4 3482 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,0,0,0,1,0|1,0,1]=4 3483 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,0,1,0|0,1,1]=4 3484 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,0,1,0|0,1,1]=4 3485 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,0,1,0|1,0,1]=4 3486 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,0,1,0|1,0,1]=4 3487 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,0,1,0|0,0,1]=3 3488 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,0,1,0|0,0,1]=3 3489 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,0,1,0|1,0,1]=4 3490 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,0,1,0|1,0,1]=4 3491 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,0,0,0,1,0|1,0,1]=4 3492 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,0,1,0|0,1,1]=4 3493 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,0,1,0|0,1,1]=4 3494 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,0,0,2,0|1,0,1]=4 3495 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,0,0,2,0|1,0,1]=4 3496 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,0,0,0,2,0|1,0,1]=4 3497 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,0,2,0|2,0,0]=4 3498 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,0,0,0,0,2|1,0,1]=4 3499 B11R1.117 CCOC1CC/C=C\CCC1 34a_100016989180_100000210202 [0,0,0,0,0,2|1,0,1]=4 3500 B11R1.117 CCOC1CC/C=C\CCC1 34a_100121572206_100021000466 [0,0,0,0,0,2|1,0,1]=4 3501 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,0,0,0,0,2|1,0,1]=4 3502 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,0,0,0,0,2|1,0,1]=4 3503 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [0,0,0,0,0,2|1,0,1]=4 3504 B11R1.117 FCOC1CC/C=C\CCC1 34a_100016989180_100015361967 [0,0,0,0,0,2|1,0,1]=4 3505 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [0,0,0,0,0,2|1,0,1]=4 3506 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [0,0,0,0,0,2|1,0,1]=4 3507 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [0,0,0,0,0,2|2,0,0]=4 3508 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [0,0,0,0,0,2|2,0,0]=4 3509 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [0,0,0,0,0,2|2,0,0]=4 3510 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,1,0,0,0|0,0,1]=4 3511 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,1,0,0,0|0,0,1]=4 3512 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,1,0,0,0|0,0,1]=4 3513 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,1,0,0,0|0,0,1]=4 3514 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,1,0,0,0|0,0,1]=4 3515 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,1,0,0,0|1,0,0]=4 3516 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,1,0,0,0|1,0,0]=4 3517 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,1,0,0,0|1,0,0]=4 3518 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,1,0,0,0|1,0,0]=4 3519 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,1,0,0,0|1,0,0]=4 3520 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,1,0,0,0|1,0,0]=4 3521 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,1,0,0,0|1,0,0]=4 3522 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,1,0,0,0|1,0,0]=4 3523 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,1,0,0,0|1,0,0]=4 3524 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,1,0,0,0|1,0,0]=4 3525 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,1,0,0,0|1,0,0]=4 3526 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,1,0,0,0|1,0,0]=4 3527 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,1,0,0,0|1,0,0]=4 3528 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,1,0,0,0|1,0,0]=4 3529 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,1,0,0,0|1,0,0]=4 3530 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,1,0,0,0|1,0,0]=4 3531 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,1,0,0,0|1,0,0]=4 3532 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,1,0,0,0|1,0,0]=4 3533 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,1,0,0,0|1,0,0]=4 3534 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,1,0,0,0|1,0,0]=4 3535 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,1,0,0,0|1,0,0]=4 3536 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,1,0,0,0|1,0,0]=4 3537 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,1,0,0,0|1,0,0]=4 3538 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,1,0,0,0|1,0,0]=4 3539 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,1,0,0,0|1,0,0]=4 3540 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,1,0,0,0|1,0,0]=4 3541 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,1,0,0,0|1,0,0]=4 3542 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,1,0,0,0|1,0,0]=4 3543 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,1,0,0,0|1,0,0]=4 3544 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,1,0,0,0|1,0,0]=4 3545 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [2,0,1,0,0,0|1,0,0]=4 3546 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [2,0,1,0,0,0|1,0,0]=4 3547 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [2,0,1,0,0,0|1,0,0]=4 3548 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [2,0,1,0,0,0|1,0,0]=4 3549 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [2,0,1,0,0,0|1,0,0]=4 3550 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [2,0,1,0,0,0|1,0,0]=4 3551 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [2,0,1,0,0,0|1,0,0]=4 3552 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [2,0,1,0,0,0|1,0,0]=4 3553 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [2,0,1,0,0,0|1,0,0]=4 3554 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [2,0,1,0,0,0|1,0,0]=4 3555 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,1,0,0,0|0,0,1]=4 3556 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,1,0,0,0|0,0,1]=4 3557 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,1,0,0,0|0,0,1]=4 3558 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,1,0,0,0|0,0,1]=4 3559 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,1,0,0,0|0,0,1]=4 3560 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,1,0,0,0|0,0,1]=4 3561 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,1,0,0,0|0,0,1]=4 3562 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,1,0,0,0|1,0,0]=4 3563 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,1,0,0,0|1,0,0]=4 3564 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,1,0,0,0|1,0,0]=4 3565 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,1,0,0,0|0,0,1]=4 3566 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,1,0,0,0|0,0,1]=4 3567 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,1,0,0,0|0,0,1]=4 3568 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,1,0,0,0|1,0,0]=4 3569 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,1,0,0,0|1,0,0]=4 3570 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,1,0,0,0|1,0,0]=4 3571 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,1,0,0,0|1,0,0]=4 3572 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,1,0,0,0|1,0,0]=4 3573 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,1,0,0,0|1,0,0]=4 3574 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,1,0,0,0|1,0,0]=4 3575 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,1,0,0,0|1,0,0]=4 3576 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,1,0,0,0|1,0,0]=4 3577 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,1,0,0,0|1,0,0]=4 3578 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,1,0,0,0|1,0,0]=4 3579 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,1,0,0,0|1,0,0]=4 3580 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,1,0,0,0|1,0,0]=4 3581 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,1,0,0,0|1,0,0]=4 3582 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,1,0,0,0|1,0,0]=4 3583 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,1,0,0,0|1,0,0]=4 3584 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,1,0,0,0|1,0,0]=4 3585 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [2,0,1,0,0,0|0,0,1]=4 3586 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [2,0,1,0,0,0|0,0,1]=4 3587 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,1,0,0,0|0,0,1]=4 3588 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,1,0,0,0|0,0,1]=4 3589 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,1,0,0,0|1,0,0]=4 3590 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,1,0,0,0|1,0,0]=4 3591 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,1,0,0,0|1,0,0]=4 3592 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,1,0,0,0|1,0,0]=4 3593 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,1,0,0,0|1,0,0]=4 3594 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,1,0,0,0|1,0,0]=4 3595 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,1,0,0,0|0,0,1]=4 3596 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,1,0,0,0|0,0,1]=4 3597 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,1,0,0,0|0,0,1]=4 3598 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,1,0,0,0|0,0,1]=4 3599 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,1,0,0,0|0,0,1]=4 3600 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,1,0,0,0|1,0,0]=4 3601 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,1,0,0,0|1,0,0]=4 3602 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,1,0,0,0|1,0,0]=4 3603 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,1,0,0,0|1,0,0]=4 3604 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,1,0,0,0|1,0,0]=4 3605 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,1,0,0,0|1,0,0]=4 3606 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,1,0,0,0|1,0,0]=4 3607 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,1,0,0,0|1,0,0]=4 3608 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,1,0,0,0|1,0,0]=4 3609 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,1,0,0,0|1,0,0]=4 3610 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,1,0,0,0|1,0,0]=4 3611 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,1,0,0,0|1,0,0]=4 3612 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [1,1,1,0,0,0|1,0,0]=4 3613 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,1,0,0,0|0,0,1]=4 3614 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,1,0,0,0|0,0,1]=4 3615 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,1,1,0,0,0|1,0,0]=4 3616 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,1,1,0,0,0|1,0,0]=4 3617 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,1,1,0,0,0|1,0,0]=4 3618 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,1,1,0,0,0|1,0,0]=4 3619 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,1,1,0,0,0|1,0,0]=4 3620 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,1,1,0,0,0|1,0,0]=4 3621 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,1,1,0,0,0|1,0,0]=4 3622 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,1,1,0,0,0|1,0,0]=4 3623 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,1,1,0,0,0|1,0,0]=4 3624 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,1,1,0,0,0|1,0,0]=4 3625 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,1,0,0,0|0,0,0]=3 3626 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,1,0,0,0|0,0,0]=3 3627 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,1,0,0,0|0,0,0]=3 3628 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,1,0,0,0|1,0,0]=4 3629 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,1,0,0,0|1,0,0]=4 3630 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,1,0,0,0|1,0,0]=4 3631 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,1,0,0,0|1,0,0]=4 3632 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,1,0,0,0|1,0,0]=4 3633 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,1,0,0,0|1,0,0]=4 3634 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,1,0,0,0|1,0,0]=4 3635 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,1,0,0,0|1,0,0]=4 3636 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,1,0,0,0|1,0,0]=4 3637 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,1,0,0,0|1,0,0]=4 3638 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,1,0,0,0|1,0,0]=4 3639 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,1,0,0,0|1,0,0]=4 3640 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,1,0,0,0|1,0,0]=4 3641 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,1,0,0,0|1,0,0]=4 3642 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,1,0,0,0|1,0,0]=4 3643 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,1,0,0,0|1,0,0]=4 3644 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,1,0,0,0|1,0,0]=4 3645 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,1,0,0,0|1,0,0]=4 3646 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,1,0,0,0|1,0,0]=4 3647 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,1,0,0,0|1,0,0]=4 3648 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,1,0,0,0|1,0,0]=4 3649 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,1,0,0,0|1,0,0]=4 3650 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,1,0,0,0|1,0,0]=4 3651 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,1,0,0,0|1,0,0]=4 3652 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,1,0,0,0|1,0,0]=4 3653 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,1,0,0,0|1,0,0]=4 3654 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,1,0,0,0|1,0,0]=4 3655 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,1,0,0,0|1,0,0]=4 3656 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,1,0,0,0|1,0,0]=4 3657 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,1,0,0,0|1,0,0]=4 3658 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,1,0,0,0|1,0,0]=4 3659 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,1,0,0,0|1,0,0]=4 3660 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,1,0,0,0|1,0,0]=4 3661 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,1,0,0,0|1,0,0]=4 3662 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,1,0,0,0|1,0,0]=4 3663 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,1,0,0,0|1,0,0]=4 3664 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,1,0,0,0|1,0,0]=4 3665 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,1,0,0,0|1,0,0]=4 3666 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,1,0,0,0|1,0,0]=4 3667 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,1,0,0,0|1,0,0]=4 3668 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,1,0,0,0|1,0,0]=4 3669 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,1,0,0,0|1,0,0]=4 3670 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,1,0,0,0|1,0,0]=4 3671 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,1,0,0,0|1,0,0]=4 3672 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,1,0,0,0|1,0,0]=4 3673 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,1,0,0,0|1,0,0]=4 3674 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,1,0,0,0|1,0,0]=4 3675 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,1,0,0,0|1,0,0]=4 3676 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,1,0,0,0|1,0,0]=4 3677 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,1,0,0,0|1,0,0]=4 3678 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,1,0,0,0|1,0,0]=4 3679 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,1,1,0,0,0|1,0,0]=4 3680 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,1,1,0,0,0|1,0,0]=4 3681 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,1,0,0,0|1,0,0]=4 3682 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,1,0,0,0|1,0,0]=4 3683 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,1,0,0,0|1,0,0]=4 3684 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,1,0,0,0|1,0,0]=4 3685 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,1,0,0,0|1,0,0]=4 3686 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,1,0,0,0|1,0,0]=4 3687 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,1,0,0,0|1,0,0]=4 3688 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,1,0,0,0|1,0,0]=4 3689 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,1,0,0,0|1,0,0]=4 3690 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,1,0,0,0|0,0,1]=4 3691 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,1,0,0,0|0,0,1]=4 3692 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,1,0,0,0|0,0,1]=4 3693 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,1,0,0,0|1,0,0]=4 3694 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,1,0,0,0|1,0,0]=4 3695 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,1,0,0,0|1,0,0]=4 3696 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,1,0,0,0|1,0,0]=4 3697 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,1,0,0,0|1,0,0]=4 3698 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [1,1,1,0,0,0|1,0,0]=4 3699 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,1,0,0,0|1,0,0]=4 3700 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,1,0,0,0|1,0,0]=4 3701 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,1,0,0,0|1,0,0]=4 3702 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,1,0,0,0|1,0,0]=4 3703 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [1,1,1,0,0,0|0,0,1]=4 3704 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [1,1,1,0,0,0|0,0,1]=4 3705 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [1,1,1,0,0,0|0,0,1]=4 3706 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [1,1,1,0,0,0|0,0,1]=4 3707 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,1,0,0,0|0,0,0]=3 3708 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,1,0,0,0|0,0,0]=3 3709 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,1,0,0,0|0,0,0]=3 3710 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,1,0,0,0|1,0,0]=4 3711 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,1,0,0,0|1,0,0]=4 3712 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,1,0,0,0|1,0,0]=4 3713 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,1,0,0,0|1,0,0]=4 3714 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,1,0,0,0|1,0,0]=4 3715 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,1,0,0,0|1,0,0]=4 3716 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,1,0,0,0|1,0,0]=4 3717 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,1,0,0,0|1,0,0]=4 3718 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,1,0,0,0|1,0,0]=4 3719 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,1,0,0,0|1,0,0]=4 3720 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,1,0,0,0|1,0,0]=4 3721 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,1,0,0,0|1,0,0]=4 3722 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,1,0,0,0|1,0,0]=4 3723 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,1,0,0,0|1,0,0]=4 3724 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,1,0,0,0|1,0,0]=4 3725 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,1,0,0,0|1,0,0]=4 3726 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,1,0,0,0|1,0,0]=4 3727 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,1,0,0,0|1,0,0]=4 3728 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,1,0,0,0|1,0,0]=4 3729 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,1,0,0,0|1,0,0]=4 3730 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,1,0,0,0|1,0,0]=4 3731 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,1,0,0,0|0,0,1]=4 3732 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,1,0,0,0|0,0,1]=4 3733 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,1,0,0,0|0,0,1]=4 3734 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,1,0,0,0|0,0,1]=4 3735 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,1,0,0,0|0,0,1]=4 3736 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,1,0,0,0|1,0,0]=4 3737 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,1,0,0,0|1,0,0]=4 3738 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,1,0,0,0|1,0,0]=4 3739 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,1,0,0,0|1,0,0]=4 3740 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,1,0,0,0|0,0,1]=4 3741 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,1,0,0,0|0,0,1]=4 3742 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,1,0,0,0|0,0,1]=4 3743 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,1,0,0,0|0,0,1]=4 3744 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,1,0,0,0|0,0,1]=4 3745 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [1,1,1,0,0,0|0,0,1]=4 3746 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [1,1,1,0,0,0|0,0,1]=4 3747 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,1,0,0,0|1,0,0]=4 3748 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,1,0,0,0|1,0,0]=4 3749 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,1,0,0,0|1,0,0]=4 3750 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,1,0,0,0|1,0,0]=4 3751 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,1,0,0,0|1,0,0]=4 3752 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,1,0,0,0|1,0,0]=4 3753 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,1,0,0,0|1,0,0]=4 3754 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,1,0,0,0|1,0,0]=4 3755 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,1,0,0,0|1,0,0]=4 3756 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,1,0,0,0|0,0,0]=3 3757 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,1,0,0,0|0,0,0]=3 3758 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,1,0,0,0|0,0,0]=3 3759 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,1,0,0,0|1,0,0]=4 3760 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,1,0,0,0|1,0,0]=4 3761 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [1,1,1,0,0,0|0,0,1]=4 3762 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [1,1,1,0,0,0|0,0,1]=4 3763 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,1,0,0,0|1,0,0]=4 3764 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,1,0,0,0|1,0,0]=4 3765 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [1,1,1,0,0,0|0,0,1]=4 3766 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [1,1,1,0,0,0|0,0,1]=4 3767 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,1,1,0,0,0|1,0,0]=4 3768 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,1,1,0,0,0|1,0,0]=4 3769 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,1,1,0,0,0|1,0,0]=4 3770 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,1,1,0,0,0|1,0,0]=4 3771 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,1,0,0,0|1,0,0]=4 3772 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,1,0,0,0|1,0,0]=4 3773 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,1,0,0,0|1,0,0]=4 3774 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,1,0,0,0|1,0,0]=4 3775 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,1,0,0,0|1,0,0]=4 3776 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,1,0,0,0|1,0,0]=4 3777 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,1,1,0,0,0|1,0,0]=4 3778 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,1,1,0,0,0|1,0,0]=4 3779 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,1,1,0,0,0|1,0,0]=4 3780 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,1,0,0,0|1,0,0]=4 3781 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,1,1,0,0,0|1,0,0]=4 3782 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,1,1,0,0,0|1,0,0]=4 3783 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,1,1,0,0,0|1,0,0]=4 3784 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [1,1,1,0,0,0|1,0,0]=4 3785 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,1,1,0,0,0|1,0,0]=4 3786 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,1,1,0,0,0|1,0,0]=4 3787 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,1,1,0,0,0|1,0,0]=4 3788 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,1,1,0,0,0|1,0,0]=4 3789 B8R0.31 CCCC(C)(CC)OC 7a_200011215934_200000210301 [1,1,1,0,0,0|0,0,1]=4 3790 B8R0.31 CCCC(C)(CC)O[13CH3] 7a_200011215934_200025704644 [1,1,1,0,0,0|0,0,1]=4 3791 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [2,1,0,0,0,0|1,0,0]=4 3792 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [2,1,0,0,0,0|1,0,0]=4 3793 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [2,1,0,0,0,0|1,0,0]=4 3794 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [2,1,0,0,0,0|1,0,0]=4 3795 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [2,1,0,0,0,0|1,0,0]=4 3796 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [2,1,0,0,0,0|1,0,0]=4 3797 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [2,1,0,0,0,0|1,0,0]=4 3798 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [2,1,0,0,0,0|1,0,0]=4 3799 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,1,0,0,1,0|0,0,1]=4 3800 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,1,0,0,1,0|0,0,1]=4 3801 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,1,0,0,1,0|0,0,0]=3 3802 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,1,0,0,1,0|0,0,0]=3 3803 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,1,0,0,1,0|1,0,0]=4 3804 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,1,0,0,1,0|1,0,0]=4 3805 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,1,0,0,1,0|1,0,0]=4 3806 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,1,0,0,1,0|1,0,0]=4 3807 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,1,0,0,1,0|1,0,0]=4 3808 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,1,0,0,1,0|1,0,0]=4 3809 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,1,0,0,1,0|0,0,0]=3 3810 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,1,0,0,1,0|1,0,0]=4 3811 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,1,0,0,1,0|1,0,0]=4 3812 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,1,0,0,1,0|1,0,0]=4 3813 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,1,0,0,1,0|0,0,1]=4 3814 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,1,0,0,1,0|0,0,1]=4 3815 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,1,0,0,1,0|0,0,1]=4 3816 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,1,0,0,1,0|0,0,1]=4 3817 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,1,0,0,1,0|0,0,1]=4 3818 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,1,0,0,1,0|0,0,1]=4 3819 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,1,0,0,1,0|0,0,1]=4 3820 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,1,0,0,1,0|0,0,1]=4 3821 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [1,1,0,0,1,0|0,0,1]=4 3822 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [1,1,0,0,1,0|0,0,1]=4 3823 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [1,1,0,0,1,0|0,0,1]=4 3824 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [1,1,0,0,1,0|0,0,1]=4 3825 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [0,1,0,0,2,0|1,0,0]=4 3826 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [0,1,0,0,2,0|1,0,0]=4 3827 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,1,0,0,2,0|1,0,0]=4 3828 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,1,0,0,2,0|1,0,0]=4 3829 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,1,0,0,2,0|0,0,0]=3 3830 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [0,1,0,0,2,0|1,0,0]=4 3831 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,1,0,0,2,0|0,1,0]=4 3832 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,0,2,0|1,0,0]=4 3833 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,0,2,0|1,0,0]=4 3834 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,1,0,0,2,0|1,0,0]=4 3835 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,1,0,0,2,0|1,0,0]=4 3836 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,1,0,0,2,0|1,0,0]=4 3837 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,1,0,0,2,0|1,0,0]=4 3838 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,0,2,0|1,0,0]=4 3839 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,2,1,0,0,0|1,0,0]=4 3840 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,2,1,0,0,0|1,0,0]=4 3841 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,2,1,0,0,0|1,0,0]=4 3842 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,2,1,0,0,0|1,0,0]=4 3843 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,1,0,0,0|1,0,0]=4 3844 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,1,0,0,0|1,0,0]=4 3845 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,1,0,0,0|1,0,0]=4 3846 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,1,0,0,0|1,0,0]=4 3847 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,2,1,0,0,0|0,0,0]=3 3848 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,2,1,0,0,0|0,0,0]=3 3849 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [0,2,1,0,0,0|1,0,0]=4 3850 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [0,2,1,0,0,0|1,0,0]=4 3851 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [0,2,1,0,0,0|1,0,0]=4 3852 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [0,2,1,0,0,0|1,0,0]=4 3853 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [0,2,1,0,0,0|1,0,0]=4 3854 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [0,2,1,0,0,0|1,0,0]=4 3855 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,2,1,0,0,0|1,0,0]=4 3856 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,2,1,0,0,0|1,0,0]=4 3857 B10R0.18 C=CC(C)OC(C)CCCC 34a_100000695699_200011215066 [0,2,1,0,0,0|1,0,0]=4 3858 B10R0.18 CCC(C)CC(C)NCC=O 2230a_100000763565_200015260668 [0,2,1,0,0,0|1,0,0]=4 3859 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,1,0,0,0|1,0,0]=4 3860 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,1,0,0,0|1,0,0]=4 3861 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,1,0,0,0|1,0,0]=4 3862 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,1,0,0,0|1,0,0]=4 3863 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,1,0,0,0|1,0,0]=4 3864 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,1,0,0,0|1,0,0]=4 3865 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,1,0,0,0|1,0,0]=4 3866 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,1,0,0,0|1,0,0]=4 3867 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,1,0,0,0|1,0,0]=4 3868 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,1,0,0,0|1,0,0]=4 3869 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,1,0,0,0|1,0,0]=4 3870 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,1,0,0,0|1,0,0]=4 3871 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,2,1,0,0,0|0,0,1]=4 3872 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,2,1,0,0,0|0,0,1]=4 3873 B10R0.32 CCCN(C)C(C)OC(=O)C 269982a_100000747261_100009818208 [0,2,1,0,0,0|1,0,0]=4 3874 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,2,1,0,0,0|1,0,0]=4 3875 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,2,1,0,0,0|1,0,0]=4 3876 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,2,1,0,0,0|1,0,0]=4 3877 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,2,1,0,0,0|1,0,0]=4 3878 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100000758301_100009818208 [0,2,1,0,0,0|1,0,0]=4 3879 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100009818208_100000758301 [0,2,1,0,0,0|1,0,0]=4 3880 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,1,0,0,0|1,0,0]=4 3881 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,2,1,0,0,0|1,0,0]=4 3882 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,2,1,0,0,0|1,0,0]=4 3883 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,2,1,0,0,0|1,0,0]=4 3884 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,2,1,0,0,0|1,0,0]=4 3885 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,2,1,0,0,0|1,0,0]=4 3886 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,2,1,0,0,0|1,0,0]=4 3887 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,2,1,0,0,0|1,0,0]=4 3888 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,2,1,0,0,0|1,0,0]=4 3889 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100009818208_100011218427 [0,2,1,0,0,0|1,0,0]=4 3890 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100011218427_100009818208 [0,2,1,0,0,0|1,0,0]=4 3891 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100009818208 [0,2,1,0,0,0|1,0,0]=4 3892 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009818208_100009817552 [0,2,1,0,0,0|1,0,0]=4 3893 B10R0.19 C=CCOC(C)C(C)CCC 34a_100000708338_100015514636 [0,2,1,0,0,0|1,0,0]=4 3894 B10R0.19 C=CCOC(C)C(C)CCC 7a_100000708338_100015514636 [0,2,1,0,0,0|1,0,0]=4 3895 B10R0.19 CCCC(C)C(C)OCC=O 34a_100000708338_200009817547 [0,2,1,0,0,0|0,0,0]=3 3896 B10R0.19 CCCC(C)C(C)OCC=O 7a_100000708338_200015260668 [0,2,1,0,0,0|0,0,0]=3 3897 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [0,2,1,0,0,0|1,0,0]=4 3898 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [0,2,1,0,0,0|1,0,0]=4 3899 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [0,2,1,0,0,0|1,0,0]=4 3900 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,2,1,0,0,0|1,0,0]=4 3901 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,2,1,0,0,0|1,0,0]=4 3902 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,2,1,0,0,0|1,0,0]=4 3903 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,2,1,0,0,0|1,0,0]=4 3904 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,2,1,0,0,0|1,0,0]=4 3905 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,2,1,0,0,0|1,0,0]=4 3906 B10R0.91 C=CCOC(C)CCCOC 34a_200011539412_100015514636 [0,2,1,0,0,0|1,0,0]=4 3907 B10R0.91 C=CCOC(C)CCCOC 7a_200011539412_100015514636 [0,2,1,0,0,0|1,0,0]=4 3908 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [0,2,1,0,0,0|1,0,0]=4 3909 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [0,2,1,0,0,0|1,0,0]=4 3910 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [0,2,1,0,0,0|1,0,0]=4 3911 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [0,2,1,0,0,0|1,0,0]=4 3912 B10R0.91 CCC#CCC(C)OCC=O 34a_200000035118_200009817547 [0,2,1,0,0,0|0,0,1]=4 3913 B10R0.91 CCC#CCC(C)OCC=O 7a_200000035118_200015260668 [0,2,1,0,0,0|0,0,1]=4 3914 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,2,1,0,0,0|0,0,0]=3 3915 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,2,1,0,0,0|0,0,0]=3 3916 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,2,1,0,0,0|1,0,0]=4 3917 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,2,1,0,0,0|0,0,0]=3 3918 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,2,1,0,0,0|0,0,0]=3 3919 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,2,1,0,0,0|0,1,0]=4 3920 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,2,1,0,0,0|0,1,0]=4 3921 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,2,1,0,0,0|1,0,0]=4 3922 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [0,2,1,0,0,0|0,0,0]=3 3923 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [0,2,1,0,0,0|0,0,0]=3 3924 B10R0.16 C#CC(CCCC)OCC=O 34a_200011217967_200009817547 [0,2,1,0,0,0|0,0,1]=4 3925 B10R0.16 C#CC(CCCC)OCC=O 7a_200011217967_200015260668 [0,2,1,0,0,0|0,0,1]=4 3926 B10R0.16 C=CC(CCCC)OCC=O 34a_200011215037_200009817547 [0,2,1,0,0,0|0,0,1]=4 3927 B10R0.16 C=CC(CCCC)OCC=O 7a_200011215037_200015260668 [0,2,1,0,0,0|0,0,1]=4 3928 B10R0.16 C=CCOC(CC)CCCC 34a_100011215227_100015514636 [0,2,1,0,0,0|1,0,0]=4 3929 B10R0.16 C=CCOC(CC)CCCC 34a_200000210373_200011216223 [0,2,1,0,0,0|1,0,0]=4 3930 B10R0.16 C=CCOC(CC)CCCC 7a_100011215227_100015514636 [0,2,1,0,0,0|1,0,0]=4 3931 B10R0.16 CCCCC(CC)OCC=O 34a_100011215227_200009817547 [0,2,1,0,0,0|0,0,0]=3 3932 B10R0.16 CCCCC(CC)OCC=O 7a_100011215227_200015260668 [0,2,1,0,0,0|0,0,0]=3 3933 B10R0.16 CCCCC(CC)SCC=O 62a_200011216223_200015260668 [0,2,1,0,0,0|0,1,0]=4 3934 B10R0.16 CCCCC(CC)SCC=O 62a_200015260668_200011216223 [0,2,1,0,0,0|0,1,0]=4 3935 B10R0.16 CCCC[C@@H](CO)NCC=O 2230a_100011934283_200015260668 [0,2,1,0,0,0|1,0,0]=4 3936 B10R0.16 CCCC[C@@H](CO)NCC=O 34a_100011934283_200009817547 [0,2,1,0,0,0|1,0,0]=4 3937 B10R0.16 CCOCC(CN)OCC=O 34a_102515437182_200009817547 [0,2,1,0,0,0|1,0,0]=4 3938 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,2,1,0,0,0|1,0,0]=4 3939 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,2,1,0,0,0|1,0,0]=4 3940 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,2,1,0,0,0|1,0,0]=4 3941 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [0,2,1,0,0,0|1,0,0]=4 3942 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [0,2,1,0,0,0|1,0,0]=4 3943 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [0,2,1,0,0,0|1,0,0]=4 3944 B10R0.78 C=CCOC(C)CCC(C)C 34a_100011215350_100015514636 [0,2,1,0,0,0|1,0,0]=4 3945 B10R0.78 C=CCOC(C)CCC(C)C 34a_200000210373_100011261404 [0,2,1,0,0,0|1,0,0]=4 3946 B10R0.78 C=CCOC(C)CCC(C)C 7a_100011215350_100015514636 [0,2,1,0,0,0|1,0,0]=4 3947 B10R0.78 CC(C)CCC(C)NCC=O 2230a_100138410893_200015260668 [0,2,1,0,0,0|1,0,0]=4 3948 B10R0.78 CC(C)CCC(C)OCC=O 34a_100011215350_200009817547 [0,2,1,0,0,0|0,0,0]=3 3949 B10R0.78 CC(C)CCC(C)OCC=O 7a_100011215350_200015260668 [0,2,1,0,0,0|0,0,0]=3 3950 B10R0.78 CC(C)CCC(C)SCC=O 62a_100011261404_200015260668 [0,2,1,0,0,0|0,1,0]=4 3951 B10R0.78 CC(C)CCC(C)SCC=O 62a_200015260668_100011261404 [0,2,1,0,0,0|0,1,0]=4 3952 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [0,2,1,0,0,0|1,0,0]=4 3953 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [0,2,1,0,0,0|1,0,0]=4 3954 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [0,2,1,0,0,0|1,0,0]=4 3955 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,1,0,0,0|1,0,0]=4 3956 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,1,0,0,0|1,0,0]=4 3957 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,2,1,0,0,0|1,0,0]=4 3958 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,2,1,0,0,0|1,0,0]=4 3959 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,1,0,0,0|1,0,0]=4 3960 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,1,0,0,0|0,0,0]=3 3961 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,2,1,0,0,0|0,0,0]=3 3962 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,2,1,0,0,0|0,0,0]=3 3963 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,2,1,0,0,0|0,0,0]=3 3964 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 34a_100000687866_100000761209 [0,2,1,0,0,0|0,0,1]=4 3965 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,2,1,0,0,0|0,1,0]=4 3966 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,2,1,0,0,0|0,1,0]=4 3967 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,2,1,0,0,0|0,1,0]=4 3968 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,2,1,0,0,0|0,1,0]=4 3969 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,2,1,0,0,0|1,0,0]=4 3970 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,2,1,0,0,0|1,0,0]=4 3971 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [0,2,1,0,0,0|1,0,0]=4 3972 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [0,2,1,0,0,0|1,0,0]=4 3973 B10R0.78 CCOCC(C)OCC(=O)[O-] 34a_100000718985_100020667443 [0,2,1,0,0,0|1,0,0]=4 3974 B10R0.116 C=CCOC(C)(C)CCCC 7a_100011219641_100015514636 [0,2,1,0,0,0|1,0,0]=4 3975 B10R0.116 CC(C)(CCCBr)OCC=O 7a_100009888830_200015260668 [0,2,1,0,0,0|1,0,0]=4 3976 B10R0.116 CCCCC(C)(C)OCC=O 7a_100011219641_200015260668 [0,2,1,0,0,0|0,0,0]=3 3977 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,2,1,0,0,0|1,0,0]=4 3978 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,2,1,0,0,0|1,0,0]=4 3979 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,2,1,0,0,0|1,0,0]=4 3980 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,2,1,0,0,0|1,0,0]=4 3981 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,2,1,0,0,0|1,0,0]=4 3982 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,2,1,0,0,0|1,0,0]=4 3983 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,2,1,0,0,0|1,0,0]=4 3984 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,2,1,0,0,0|1,0,0]=4 3985 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,2,1,0,0,0|1,0,0]=4 3986 B10R0.4 C=COCCCCOC(C)C 34a_100000031558_100000210206 [0,2,1,0,0,0|1,0,0]=4 3987 B10R0.4 C=COCCCCOC(C)C 7a_100000031558_100000210206 [0,2,1,0,0,0|1,0,0]=4 3988 B10R0.4 C=COCCCNCC(C)C 2230a_100000210767_100000210760 [0,2,1,0,0,0|1,0,0]=4 3989 B10R0.4 C=COCCCNCC(C)C 270004a_100000210767_100000210432 [0,2,1,0,0,0|1,0,0]=4 3990 B10R0.4 C=COCCCNCC(C)C 34a_100000210767_100000210624 [0,2,1,0,0,0|1,0,0]=4 3991 B10R0.4 C=COCCCNCC(C)O 2230a_100000210767_100011218427 [0,2,1,0,0,0|1,0,0]=4 3992 B10R0.4 C=COCCCNCC(C)O 34a_100000210767_100011218427 [0,2,1,0,0,0|1,0,0]=4 3993 B10R0.4 C=COCCCNC[C@@H](C)O 2230a_100000210767_100009817552 [0,2,1,0,0,0|1,0,0]=4 3994 B10R0.4 C=COCCCNC[C@@H](C)O 34a_100000210767_100009817552 [0,2,1,0,0,0|1,0,0]=4 3995 B10R0.4 C=COCCNCCC(C)O 2230a_200000755665_100000039644 [0,2,1,0,0,0|1,0,0]=4 3996 B10R0.4 C=COCCOCCC(C)Br 34a_100009893172_100000039644 [0,2,1,0,0,0|1,0,0]=4 3997 B10R0.4 C=COCCOCCC(C)C 34a_100000033082_100000210312 [0,2,1,0,0,0|1,0,0]=4 3998 B10R0.4 C=COCCOCCC(C)C 34a_100000210254_100000039644 [0,2,1,0,0,0|1,0,0]=4 3999 B10R0.4 C=COCCOCCC(C)C 7a_100000210254_100000039644 [0,2,1,0,0,0|1,0,0]=4 4000 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,2,1,0,0,0|1,0,0]=4 4001 B10R0.4 C=COCCOCC[C@@H](C)N 34a_100000706166_100000039644 [0,2,1,0,0,0|1,0,0]=4 4002 B10R0.4 C=COCCSCCC(C)C 62a_100000039644_100000210312 [0,2,1,0,0,0|1,0,0]=4 4003 B10R0.4 C=COCCSCCC(C)C 62a_100000210312_100000039644 [0,2,1,0,0,0|1,0,0]=4 4004 B10R0.4 C=COCCSCCC(C)O 62a_100000039644_100012276601 [0,2,1,0,0,0|1,0,0]=4 4005 B10R0.4 C=COCCSCCC(C)O 62a_100012276601_100000039644 [0,2,1,0,0,0|1,0,0]=4 4006 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,1,0,0,0|1,0,0]=4 4007 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,1,0,0,0|1,0,0]=4 4008 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,1,0,0,0|1,0,0]=4 4009 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,1,0,0,0|1,0,0]=4 4010 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,1,0,0,0|1,0,0]=4 4011 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,1,0,0,0|1,0,0]=4 4012 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,1,0,0,0|1,0,0]=4 4013 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,1,0,0,0|1,0,0]=4 4014 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,1,0,0,0|0,0,0]=3 4015 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,1,0,0,0|0,0,0]=3 4016 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,1,0,0,0|1,0,0]=4 4017 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,1,0,0,0|1,0,0]=4 4018 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,1,0,0,0|1,0,0]=4 4019 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,1,0,0,0|1,0,0]=4 4020 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,1,0,0,0|1,0,0]=4 4021 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,1,0,0,0|1,0,0]=4 4022 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,1,0,0,0|1,0,0]=4 4023 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,1,0,0,0|1,0,0]=4 4024 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,1,0,0,0|1,0,0]=4 4025 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,1,0,0,0|1,0,0]=4 4026 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,1,0,0,0|1,0,0]=4 4027 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,1,0,0,0|1,0,0]=4 4028 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,1,0,0,0|1,0,0]=4 4029 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,1,0,0,0|1,0,0]=4 4030 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,1,0,0,0|1,0,0]=4 4031 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,1,0,0,0|1,0,0]=4 4032 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,1,0,0,0|1,0,0]=4 4033 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,1,0,0,0|1,0,0]=4 4034 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,1,0,0,0|1,0,0]=4 4035 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,1,0,0,0|1,0,0]=4 4036 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,1,0,0,0|1,0,0]=4 4037 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,1,0,0,0|1,0,0]=4 4038 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,1,0,0,0|1,0,0]=4 4039 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,1,0,0,0|1,0,0]=4 4040 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,1,0,0,0|1,0,0]=4 4041 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,1,0,0,0|1,0,0]=4 4042 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,1,0,0,0|1,0,0]=4 4043 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,1,0,0,0|1,0,0]=4 4044 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,1,0,0,0|1,0,0]=4 4045 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,1,0,0,0|1,0,0]=4 4046 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,1,0,0,0|1,0,0]=4 4047 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,1,0,0,0|1,0,0]=4 4048 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,1,0,0,0|1,0,0]=4 4049 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,2,1,0,0,0|0,0,0]=3 4050 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,2,1,0,0,0|0,0,0]=3 4051 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,2,1,0,0,0|0,1,0]=4 4052 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,2,1,0,0,0|0,1,0]=4 4053 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,2,1,0,0,0|1,0,0]=4 4054 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,2,1,0,0,0|1,0,0]=4 4055 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,2,1,0,0,0|1,0,0]=4 4056 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,2,1,0,0,0|1,0,0]=4 4057 B10R0.4 CC(C)CNCCOCC=O 34a_100015185251_200009817547 [0,2,1,0,0,0|1,0,0]=4 4058 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [0,2,1,0,0,0|1,0,0]=4 4059 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [0,2,1,0,0,0|1,0,0]=4 4060 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,2,1,0,0,0|1,0,0]=4 4061 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,2,1,0,0,0|1,0,0]=4 4062 B10R0.4 CC(C)CSCCOCC=O 34a_200000230437_200009817547 [0,2,1,0,0,0|1,0,0]=4 4063 B10R0.4 CC(C)CSCCOCC=O 7a_200000230437_200015260668 [0,2,1,0,0,0|1,0,0]=4 4064 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,2,1,0,0,0|1,0,0]=4 4065 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [0,2,1,0,0,0|1,0,0]=4 4066 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,2,1,0,0,0|1,0,0]=4 4067 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,2,1,0,0,0|1,0,0]=4 4068 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,2,1,0,0,0|1,0,0]=4 4069 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,2,1,0,0,0|1,0,0]=4 4070 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,2,1,0,0,0|1,0,0]=4 4071 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,2,1,0,0,0|1,0,0]=4 4072 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,2,1,0,0,0|1,0,0]=4 4073 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,2,1,0,0,0|1,0,0]=4 4074 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,1,0,0,0|1,0,0]=4 4075 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,1,0,0,0|1,0,0]=4 4076 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,1,0,0,0|1,0,0]=4 4077 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,1,0,0,0|1,0,0]=4 4078 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,1,0,0,0|1,0,0]=4 4079 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,1,0,0,0|1,0,0]=4 4080 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,1,0,0,0|1,0,0]=4 4081 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,1,0,0,0|1,0,0]=4 4082 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,1,0,0,0|1,0,0]=4 4083 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,2,1,0,0,0|1,0,0]=4 4084 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,2,1,0,0,0|1,0,0]=4 4085 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,1,0,0,0|1,0,0]=4 4086 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,1,0,0,0|0,0,0]=3 4087 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,2,1,0,0,0|0,0,0]=3 4088 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,2,1,0,0,0|0,0,0]=3 4089 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,2,1,0,0,0|0,0,0]=3 4090 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,2,1,0,0,0|0,0,1]=4 4091 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,2,1,0,0,0|0,1,0]=4 4092 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,2,1,0,0,0|0,1,0]=4 4093 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,2,1,0,0,0|0,1,0]=4 4094 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,2,1,0,0,0|0,1,0]=4 4095 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,2,1,0,0,0|1,0,0]=4 4096 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,1,0,0,0|1,0,0]=4 4097 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,1,0,0,0|1,0,0]=4 4098 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,1,0,0,0|1,0,0]=4 4099 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,1,0,0,0|1,0,0]=4 4100 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,2,1,0,0,0|1,0,0]=4 4101 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,2,1,0,0,0|1,0,0]=4 4102 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,2,1,0,0,0|1,0,0]=4 4103 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,2,1,0,0,0|1,0,0]=4 4104 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,1,0,0,0|0,0,0]=3 4105 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,1,0,0,0|1,0,0]=4 4106 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,1,0,0,0|1,0,0]=4 4107 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,2,1,0,0,0|1,0,0]=4 4108 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,2,1,0,0,0|1,0,0]=4 4109 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,1,0,0,0|0,0,0]=3 4110 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,1,0,0,0|0,0,0]=3 4111 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,1,0,0,0|1,0,0]=4 4112 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,2,1,0,0,0|1,0,0]=4 4113 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,2,1,0,0,0|1,0,0]=4 4114 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,1,0,0,0|1,0,0]=4 4115 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,1,0,0,0|1,0,0]=4 4116 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,1,0,0,0|1,0,0]=4 4117 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,2,1,0,0,0|1,0,0]=4 4118 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,2,1,0,0,0|1,0,0]=4 4119 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,2,1,0,0,0|1,0,0]=4 4120 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,1,0,0,0|0,0,0]=3 4121 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,2,1,0,0,0|0,0,0]=3 4122 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,1,0,0,0|1,0,0]=4 4123 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,1,0,0,0|1,0,0]=4 4124 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,1,0,0,0|1,0,0]=4 4125 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,1,0,0,0|1,0,0]=4 4126 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,2,1,0,0,0|1,0,0]=4 4127 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,2,1,0,0,0|1,0,0]=4 4128 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,1,0,0,0|1,0,0]=4 4129 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,1,0,0,0|1,0,0]=4 4130 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,2,1,0,0,0|1,0,0]=4 4131 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,2,1,0,0,0|1,0,0]=4 4132 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,1,0,0,0|0,0,0]=3 4133 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,1,0,0,0|0,0,0]=3 4134 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,2,1,0,0,0|0,0,0]=3 4135 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,2,1,0,0,0|0,0,0]=3 4136 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,2,1,0,0,0|0,0,0]=3 4137 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,1,0,0,0|1,0,0]=4 4138 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,1,0,0,0|1,0,0]=4 4139 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,1,0,0,0|1,0,0]=4 4140 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,2,1,0,0,0|1,0,0]=4 4141 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,2,1,0,0,0|1,0,0]=4 4142 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,1,0,0,0|1,0,0]=4 4143 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,1,0,0,0|1,0,0]=4 4144 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,1,0,0,0|1,0,0]=4 4145 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,1,0,0,0|1,0,0]=4 4146 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,1,0,0,0|1,0,0]=4 4147 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,1,0,0,0|1,0,0]=4 4148 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,2,1,0,0,0|1,0,0]=4 4149 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,2,1,0,0,0|1,0,0]=4 4150 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,1,0,0,0|0,0,0]=3 4151 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,1,0,0,0|0,0,0]=3 4152 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,2,1,0,0,0|0,0,0]=3 4153 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,2,1,0,0,0|0,0,0]=3 4154 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,2,1,0,0,0|1,0,0]=4 4155 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,1,0,0,0|1,0,0]=4 4156 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,1,0,0,0|1,0,0]=4 4157 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,1,0,0,0|1,0,0]=4 4158 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,2,1,0,0,0|1,0,0]=4 4159 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,2,1,0,0,0|1,0,0]=4 4160 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,1,0,0,0|1,0,0]=4 4161 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,1,0,0,0|1,0,0]=4 4162 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,1,0,0,0|1,0,0]=4 4163 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,1,0,0,0|1,0,0]=4 4164 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,1,0,0,0|0,0,0]=3 4165 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,2,1,0,0,0|0,1,0]=4 4166 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,1,0,0,0|0,1,0]=4 4167 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,1,0,0,0|1,0,0]=4 4168 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,2,1,0,0,0|1,0,0]=4 4169 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,2,1,0,0,0|1,0,0]=4 4170 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,2,1,0,0,0|1,0,0]=4 4171 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,2,1,0,0,0|1,0,0]=4 4172 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,1,0,0,0|1,0,0]=4 4173 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,1,0,0,0|1,0,0]=4 4174 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,1,0,0,0|0,0,0]=3 4175 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,1,0,0,0|0,0,0]=3 4176 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,2,1,0,0,0|0,1,0]=4 4177 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,2,1,0,0,0|0,1,0]=4 4178 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,1,0,0,0|0,1,0]=4 4179 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,1,0,0,0|0,1,0]=4 4180 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,2,1,0,0,0|1,0,0]=4 4181 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,2,1,0,0,0|1,0,0]=4 4182 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,2,1,0,0,0|1,0,0]=4 4183 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,2,1,0,0,0|1,0,0]=4 4184 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,2,1,0,0,0|1,0,0]=4 4185 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,2,1,0,0,0|1,0,0]=4 4186 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,1,0,0,0|1,0,0]=4 4187 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,1,0,0,0|1,0,0]=4 4188 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,1,0,0,0|0,1,0]=4 4189 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,2,1,0,0,0|1,0,0]=4 4190 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,2,1,0,0,0|1,0,0]=4 4191 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,2,1,0,0,0|1,0,0]=4 4192 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,2,1,0,0,0|1,0,0]=4 4193 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,1,0,0,0|0,0,0]=3 4194 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,1,0,0,0|0,0,0]=3 4195 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,1,0,0,0|0,0,0]=3 4196 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,2,1,0,0,0|1,0,0]=4 4197 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,1,0,0,0|0,1,0]=4 4198 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,1,0,0,0|1,0,0]=4 4199 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,2,1,0,0,0|1,0,0]=4 4200 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,2,1,0,0,0|1,0,0]=4 4201 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,2,1,0,0,0|1,0,0]=4 4202 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,2,1,0,0,0|1,0,0]=4 4203 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,1,0,0,0|1,0,0]=4 4204 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,2,1,0,0,0|1,0,0]=4 4205 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,2,1,0,0,0|1,0,0]=4 4206 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,1,0,0,0|1,0,0]=4 4207 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,2,1,0,0,0|1,0,0]=4 4208 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,2,1,0,0,0|1,0,0]=4 4209 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,2,1,0,0,0|1,0,0]=4 4210 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,2,1,0,0,0|1,0,0]=4 4211 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,2,1,0,0,0|1,0,0]=4 4212 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,2,1,0,0,0|1,0,0]=4 4213 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,1,0,0,0|0,0,0]=3 4214 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,1,0,0,0|0,0,0]=3 4215 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,2,1,0,0,0|1,0,0]=4 4216 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,1,0,0,0|0,1,0]=4 4217 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,1,0,0,0|0,1,0]=4 4218 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,2,1,0,0,0|1,0,0]=4 4219 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,2,1,0,0,0|1,0,0]=4 4220 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,2,1,0,0,0|1,0,0]=4 4221 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,2,1,0,0,0|1,0,0]=4 4222 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,2,1,0,0,0|1,0,0]=4 4223 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,2,1,0,0,0|1,0,0]=4 4224 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,1,0,0,0|1,0,0]=4 4225 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,1,0,0,0|1,0,0]=4 4226 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,1,0,0,0|1,0,0]=4 4227 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,1,0,0,0|1,0,0]=4 4228 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,1,0,0,0|0,0,0]=3 4229 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,1,0,0,0|0,0,0]=3 4230 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,1,0,0,0|0,0,0]=3 4231 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,1,0,0,0|1,0,0]=4 4232 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,1,0,0,0|1,0,0]=4 4233 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,1,0,0,0|1,0,0]=4 4234 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,1,0,0,0|1,0,0]=4 4235 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,1,0,0,0|1,0,0]=4 4236 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,1,0,0,0|1,0,0]=4 4237 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,1,0,0,0|1,0,0]=4 4238 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,1,0,0,0|1,0,0]=4 4239 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,1,0,0,0|1,0,0]=4 4240 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,1,0,0,0|0,0,0]=3 4241 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,1,0,0,0|1,0,0]=4 4242 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,2,1,0,0,0|1,0,0]=4 4243 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,2,1,0,0,0|1,0,0]=4 4244 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,1,0,0,0|1,0,0]=4 4245 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,1,0,0,0|1,0,0]=4 4246 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,1,0,0,0|1,0,0]=4 4247 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,1,0,0,0|1,0,0]=4 4248 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,1,0,0,0|1,0,0]=4 4249 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,1,0,0,0|1,0,0]=4 4250 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,2,1,0,0,0|1,0,0]=4 4251 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,2,1,0,0,0|1,0,0]=4 4252 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,1,0,0,0|1,0,0]=4 4253 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,1,0,0,0|1,0,0]=4 4254 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,2,1,0,0,0|1,0,0]=4 4255 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,2,1,0,0,0|1,0,0]=4 4256 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,1,0,0,0|1,0,0]=4 4257 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,1,0,0,0|1,0,0]=4 4258 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,1,0,0,0|0,0,0]=3 4259 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,1,0,0,0|0,0,0]=3 4260 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,2,1,0,0,0|1,0,0]=4 4261 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,2,1,0,0,0|1,0,0]=4 4262 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,2,1,0,0,0|1,0,0]=4 4263 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,2,1,0,0,0|1,0,0]=4 4264 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,1,0,0,0|1,0,0]=4 4265 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,1,0,0,0|1,0,0]=4 4266 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,1,0,0,0|1,0,0]=4 4267 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,1,0,0,0|1,0,0]=4 4268 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,2,1,0,0,0|1,0,0]=4 4269 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,2,1,0,0,0|1,0,0]=4 4270 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,2,1,0,0,0|1,0,0]=4 4271 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,1,0,0,0|1,0,0]=4 4272 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,1,0,0,0|1,0,0]=4 4273 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,2,1,0,0,0|1,0,0]=4 4274 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,2,1,0,0,0|1,0,0]=4 4275 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,2,1,0,0,0|1,0,0]=4 4276 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,2,1,0,0,0|1,0,0]=4 4277 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,2,1,0,0,0|1,0,0]=4 4278 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,2,1,0,0,0|1,0,0]=4 4279 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,2,1,0,0,0|1,0,0]=4 4280 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,2,1,0,0,0|1,0,0]=4 4281 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,2,1,0,0,0|1,0,0]=4 4282 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,2,1,0,0,0|1,0,0]=4 4283 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,2,1,0,0,0|1,0,0]=4 4284 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,2,1,0,0,0|1,0,0]=4 4285 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,2,1,0,0,0|1,0,0]=4 4286 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,2,1,0,0,0|1,0,0]=4 4287 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,2,1,0,0,0|1,0,0]=4 4288 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,2,1,0,0,0|1,0,0]=4 4289 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,2,1,0,0,0|1,0,0]=4 4290 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,2,1,0,0,0|1,0,0]=4 4291 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,2,1,0,0,0|1,0,0]=4 4292 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,2,1,0,0,0|1,0,0]=4 4293 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,2,1,0,0,0|1,0,0]=4 4294 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,2,1,0,0,0|1,0,0]=4 4295 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,2,1,0,0,0|1,0,0]=4 4296 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,2,1,0,0,0|1,0,0]=4 4297 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,2,1,0,0,0|1,0,0]=4 4298 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,2,1,0,0,0|1,0,0]=4 4299 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,2,1,0,0,0|1,0,0]=4 4300 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,2,1,0,0,0|1,0,0]=4 4301 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,1,0,0,0|1,0,0]=4 4302 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,1,0,0,0|0,0,1]=4 4303 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,2,1,0,0,0|1,0,0]=4 4304 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,2,1,0,0,0|1,0,0]=4 4305 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,2,1,0,0,0|1,0,0]=4 4306 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,2,1,0,0,0|1,0,0]=4 4307 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,2,1,0,0,0|1,0,0]=4 4308 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,2,1,0,0,0|1,0,0]=4 4309 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,2,1,0,0,0|1,0,0]=4 4310 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,2,1,0,0,0|1,0,0]=4 4311 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,2,1,0,0,0|1,0,0]=4 4312 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,1,0,0,0|1,0,0]=4 4313 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,1,0,0,0|1,0,0]=4 4314 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,2,1,0,0,0|1,0,0]=4 4315 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,2,1,0,0,0|1,0,0]=4 4316 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,2,1,0,0,0|1,0,0]=4 4317 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,1,0,0,0|1,0,0]=4 4318 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,1,0,0,0|1,0,0]=4 4319 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,1,0,0,0|1,0,0]=4 4320 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,1,0,0,0|1,0,0]=4 4321 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,1,0,0,0|1,0,0]=4 4322 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,1,0,0,0|1,0,0]=4 4323 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,1,0,0,0|1,0,0]=4 4324 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,2,1,0,0,0|1,0,0]=4 4325 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,2,1,0,0,0|1,0,0]=4 4326 B10R0.74 C=COCCCNC(C)CC 2230a_100000210767_100000758301 [0,2,1,0,0,0|1,0,0]=4 4327 B10R0.74 C=COCCCNC(C)CC 34a_100000210767_100011215416 [0,2,1,0,0,0|1,0,0]=4 4328 B10R0.74 C=COCCNCC(C)CC 2230a_100020588543_100000039644 [0,2,1,0,0,0|1,0,0]=4 4329 B10R0.74 C=COCCNCC(O)CC 2230a_100011218483_100000039644 [0,2,1,0,0,0|1,0,0]=4 4330 B10R0.74 C=COCCOCC(C)CC 34a_100000033082_100000748023 [0,2,1,0,0,0|1,0,0]=4 4331 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,2,1,0,0,0|1,0,0]=4 4332 B10R0.74 C=COCCOC[C@@H](C)CC 34a_100000033082_100009816398 [0,2,1,0,0,0|1,0,0]=4 4333 B10R0.74 C=COCCOC[C@@H](C)CC 7a_100009816381_100000039644 [0,2,1,0,0,0|1,0,0]=4 4334 B10R0.74 C=COCCSCC(C)CC 62a_100000039644_100000748023 [0,2,1,0,0,0|1,0,0]=4 4335 B10R0.74 C=COCCSCC(C)CC 62a_100000748023_100000039644 [0,2,1,0,0,0|1,0,0]=4 4336 B10R0.74 C=COCCSCC(O)CC 62a_100000039644_100011218378 [0,2,1,0,0,0|1,0,0]=4 4337 B10R0.74 C=COCCSCC(O)CC 62a_100011218378_100000039644 [0,2,1,0,0,0|1,0,0]=4 4338 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100000039644_100009816398 [0,2,1,0,0,0|1,0,0]=4 4339 B10R0.74 C=COCCSC[C@@H](C)CC 62a_100009816398_100000039644 [0,2,1,0,0,0|1,0,0]=4 4340 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,2,1,0,0,0|0,0,0]=3 4341 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,2,1,0,0,0|1,0,0]=4 4342 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,2,1,0,0,0|1,0,0]=4 4343 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,2,1,0,0,0|1,0,0]=4 4344 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,2,1,0,0,0|1,0,0]=4 4345 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,2,1,0,0,0|1,0,0]=4 4346 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,2,1,0,0,0|1,0,0]=4 4347 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,2,1,0,0,0|1,0,0]=4 4348 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,2,1,0,0,0|1,0,0]=4 4349 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,2,1,0,0,0|1,0,0]=4 4350 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,2,1,0,0,0|1,0,0]=4 4351 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,1,0,0,0|1,0,0]=4 4352 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,1,0,0,0|1,0,0]=4 4353 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,1,0,0,0|1,0,0]=4 4354 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,1,0,0,0|1,0,0]=4 4355 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,1,0,0,0|1,0,0]=4 4356 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,1,0,0,0|1,0,0]=4 4357 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,1,0,0,0|1,0,0]=4 4358 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,1,0,0,0|1,0,0]=4 4359 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,1,0,0,0|1,0,0]=4 4360 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,1,0,0,0|1,0,0]=4 4361 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,1,0,0,0|1,0,0]=4 4362 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,1,0,0,0|1,0,0]=4 4363 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,1,0,0,0|1,0,0]=4 4364 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,1,0,0,0|1,0,0]=4 4365 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,1,0,0,0|1,0,0]=4 4366 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,1,0,0,0|1,0,0]=4 4367 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,1,0,0,0|1,0,0]=4 4368 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,1,0,0,0|1,0,0]=4 4369 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,1,0,0,0|1,0,0]=4 4370 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,1,0,0,0|1,0,0]=4 4371 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,1,0,0,0|1,0,0]=4 4372 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,1,0,0,0|1,0,0]=4 4373 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,1,0,0,0|1,0,0]=4 4374 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,1,0,0,0|1,0,0]=4 4375 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,1,0,0,0|1,0,0]=4 4376 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,1,0,0,0|1,0,0]=4 4377 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,2,1,0,0,0|1,0,0]=4 4378 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,2,1,0,0,0|1,0,0]=4 4379 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,2,1,0,0,0|1,0,0]=4 4380 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,2,1,0,0,0|1,0,0]=4 4381 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,2,1,0,0,0|1,0,0]=4 4382 B10R0.74 C[C@@H](CN)CCCOCC=O 34a_100160569302_200009817547 [0,2,1,0,0,0|1,0,0]=4 4383 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,1,0,0,0|1,0,0]=4 4384 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,1,0,0,0|1,0,0]=4 4385 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,1,0,0,0|1,0,0]=4 4386 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,1,0,0,0|1,0,0]=4 4387 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,1,0,0,0|1,0,0]=4 4388 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,1,0,0,0|1,0,0]=4 4389 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,1,0,0,0|1,0,0]=4 4390 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,1,0,0,0|1,0,0]=4 4391 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,1,0,0,0|1,0,0]=4 4392 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,2,1,0,0,0|0,0,1]=4 4393 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,1,0,0,0|1,0,0]=4 4394 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,2,1,0,0,0|1,0,0]=4 4395 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,2,1,0,0,0|1,0,0]=4 4396 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,2,1,0,0,0|1,0,0]=4 4397 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,2,1,0,0,0|1,0,0]=4 4398 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,2,1,0,0,0|1,0,0]=4 4399 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,1,0,0,0|1,0,0]=4 4400 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,2,1,0,0,0|1,0,0]=4 4401 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,2,1,0,0,0|1,0,0]=4 4402 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,2,1,0,0,0|1,0,0]=4 4403 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,2,1,0,0,0|1,0,0]=4 4404 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,1,0,0,0|1,0,0]=4 4405 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,2,1,0,0,0|1,0,0]=4 4406 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,2,1,0,0,0|1,0,0]=4 4407 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,1,0,0,0|1,0,0]=4 4408 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,1,0,0,0|1,0,0]=4 4409 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,1,0,0,0|1,0,0]=4 4410 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,1,0,0,0|1,0,0]=4 4411 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,2,1,0,0,0|1,0,0]=4 4412 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,2,1,0,0,0|1,0,0]=4 4413 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,1,0,0,0|1,0,0]=4 4414 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,2,1,0,0,0|1,0,0]=4 4415 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,2,1,0,0,0|1,0,0]=4 4416 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,1,0,0,0|1,0,0]=4 4417 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,1,0,0,0|1,0,0]=4 4418 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,2,1,0,0,0|1,0,0]=4 4419 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,1,0,0,0|1,0,0]=4 4420 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,2,1,0,0,0|1,0,0]=4 4421 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,2,1,0,0,0|1,0,0]=4 4422 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,2,1,0,0,0|1,0,0]=4 4423 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,2,1,0,0,0|1,0,0]=4 4424 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,2,1,0,0,0|1,0,0]=4 4425 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,2,1,0,0,0|1,0,0]=4 4426 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,2,1,0,0,0|1,0,0]=4 4427 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,2,1,0,0,0|1,0,0]=4 4428 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,2,1,0,0,0|1,0,0]=4 4429 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,2,1,0,0,0|1,0,0]=4 4430 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,2,1,0,0,0|1,0,0]=4 4431 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,2,1,0,0,0|1,0,0]=4 4432 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,2,1,0,0,0|1,0,0]=4 4433 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,2,1,0,0,0|1,0,0]=4 4434 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,2,1,0,0,0|1,0,0]=4 4435 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [0,2,1,0,0,0|0,0,1]=4 4436 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [0,2,1,0,0,0|0,0,1]=4 4437 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,2,1,0,0,0|1,0,0]=4 4438 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,2,1,0,0,0|1,0,0]=4 4439 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,2,1,0,0,0|1,0,0]=4 4440 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [0,2,1,0,0,0|0,0,1]=4 4441 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [0,2,1,0,0,0|0,0,1]=4 4442 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,2,1,0,0,0|1,0,0]=4 4443 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,2,1,0,0,0|1,0,0]=4 4444 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,2,1,0,0,0|1,0,0]=4 4445 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,2,1,0,0,0|1,0,0]=4 4446 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,2,1,0,0,0|1,0,0]=4 4447 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,2,1,0,0,0|1,0,0]=4 4448 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,2,1,0,0,0|1,0,0]=4 4449 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,2,1,0,0,0|1,0,0]=4 4450 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,2,1,0,0,0|1,0,0]=4 4451 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,2,1,0,0,0|1,0,0]=4 4452 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,2,1,0,0,0|1,0,0]=4 4453 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,2,1,0,0,0|1,0,0]=4 4454 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,2,1,0,0,0|1,0,0]=4 4455 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,2,1,0,0,0|1,0,0]=4 4456 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,2,1,0,0,0|1,0,0]=4 4457 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,2,1,0,0,0|1,0,0]=4 4458 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,2,1,0,0,0|1,0,0]=4 4459 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,2,1,0,0,0|1,0,0]=4 4460 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,2,1,0,0,0|1,0,0]=4 4461 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,2,1,0,0,0|1,0,0]=4 4462 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,2,1,0,0,0|1,0,0]=4 4463 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,2,1,0,0,0|1,0,0]=4 4464 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,2,1,0,0,0|1,0,0]=4 4465 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,2,1,0,0,0|1,0,0]=4 4466 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,2,1,0,0,0|1,0,0]=4 4467 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [0,2,1,0,0,0|1,0,0]=4 4468 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [0,2,1,0,0,0|1,0,0]=4 4469 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,2,1,0,0,0|1,0,0]=4 4470 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,2,1,0,0,0|1,0,0]=4 4471 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [0,2,1,0,0,0|1,0,0]=4 4472 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,2,1,0,0,0|1,0,0]=4 4473 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,2,1,0,0,0|1,0,0]=4 4474 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [0,2,1,0,0,0|1,0,0]=4 4475 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [0,2,1,0,0,0|1,0,0]=4 4476 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,2,1,0,0,0|1,0,0]=4 4477 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,2,1,0,0,0|1,0,0]=4 4478 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [0,2,1,0,0,0|1,0,0]=4 4479 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [0,2,1,0,0,0|1,0,0]=4 4480 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [0,2,1,0,0,0|1,0,0]=4 4481 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [0,2,1,0,0,0|1,0,0]=4 4482 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,2,1,0,0,0|1,0,0]=4 4483 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,2,1,0,0,0|1,0,0]=4 4484 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,2,1,0,0,0|1,0,0]=4 4485 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [0,2,1,0,0,0|1,0,0]=4 4486 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [0,2,1,0,0,0|1,0,0]=4 4487 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [0,2,1,0,0,0|1,0,0]=4 4488 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [0,2,1,0,0,0|1,0,0]=4 4489 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [0,2,1,0,0,0|1,0,0]=4 4490 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,2,1,0,0,0|1,0,0]=4 4491 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,2,1,0,0,0|1,0,0]=4 4492 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,2,1,0,0,0|1,0,0]=4 4493 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,2,1,0,0,0|1,0,0]=4 4494 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,2,1,0,0,0|1,0,0]=4 4495 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,2,1,0,0,0|1,0,0]=4 4496 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,2,1,0,0,0|1,0,0]=4 4497 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,2,1,0,0,0|1,0,0]=4 4498 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,2,1,0,0,0|1,0,0]=4 4499 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,2,1,0,0,0|1,0,0]=4 4500 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,2,1,0,0,0|1,0,0]=4 4501 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,2,1,0,0,0|1,0,0]=4 4502 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,2,1,0,0,0|1,0,0]=4 4503 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,2,1,0,0,0|1,0,0]=4 4504 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,2,1,0,0,0|1,0,0]=4 4505 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,2,1,0,0,0|1,0,0]=4 4506 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,2,1,0,0,0|1,0,0]=4 4507 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,2,1,0,0,0|1,0,0]=4 4508 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,2,1,0,0,0|1,0,0]=4 4509 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,2,1,0,0,0|1,0,0]=4 4510 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,2,1,0,0,0|1,0,0]=4 4511 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,2,1,0,0,0|1,0,0]=4 4512 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,2,1,0,0,0|1,0,0]=4 4513 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,2,1,0,0,0|1,0,0]=4 4514 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,2,1,0,0,0|1,0,0]=4 4515 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,2,1,0,0,0|1,0,0]=4 4516 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,2,1,0,0,0|1,0,0]=4 4517 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [0,2,1,0,0,0|1,0,0]=4 4518 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [0,2,1,0,0,0|1,0,0]=4 4519 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,2,1,0,0,0|1,0,0]=4 4520 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,2,1,0,0,0|1,0,0]=4 4521 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [0,2,1,0,0,0|1,0,0]=4 4522 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [0,2,1,0,0,0|1,0,0]=4 4523 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [0,2,1,0,0,0|1,0,0]=4 4524 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [0,2,1,0,0,0|1,0,0]=4 4525 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [0,2,1,0,0,0|1,0,0]=4 4526 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [0,2,1,0,0,0|1,0,0]=4 4527 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,2,1,0,0,0|0,0,1]=4 4528 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,2,1,0,0,0|0,0,1]=4 4529 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,2,1,0,0,0|1,0,0]=4 4530 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,2,1,0,0,0|1,0,0]=4 4531 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [0,2,1,0,0,0|0,0,1]=4 4532 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [0,2,1,0,0,0|0,0,1]=4 4533 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [0,2,1,0,0,0|0,0,1]=4 4534 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [0,2,1,0,0,0|0,0,1]=4 4535 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [0,2,1,0,0,0|0,0,1]=4 4536 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [0,2,1,0,0,0|0,0,1]=4 4537 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,2,1,0,0,0|1,0,0]=4 4538 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,2,1,0,0,0|0,0,0]=3 4539 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,2,1,0,0,0|0,0,0]=3 4540 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,2,1,0,0,0|0,1,0]=4 4541 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,2,1,0,0,0|0,1,0]=4 4542 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,2,1,0,0,0|1,0,0]=4 4543 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,2,1,0,0,0|1,0,0]=4 4544 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,2,1,0,0,0|1,0,0]=4 4545 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,2,1,0,0,0|1,0,0]=4 4546 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,2,1,0,0,0|1,0,0]=4 4547 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,2,1,0,0,0|1,0,0]=4 4548 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,2,1,0,0,0|1,0,0]=4 4549 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,2,1,0,0,0|0,0,0]=3 4550 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,2,1,0,0,0|0,0,0]=3 4551 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,2,1,0,0,0|0,1,0]=4 4552 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,2,1,0,0,0|0,1,0]=4 4553 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,2,1,0,0,0|1,0,0]=4 4554 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,2,1,0,0,0|1,0,0]=4 4555 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,2,1,0,0,0|1,0,0]=4 4556 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,2,1,0,0,0|0,0,0]=3 4557 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,2,1,0,0,0|0,0,0]=3 4558 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,2,1,0,0,0|1,0,0]=4 4559 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,2,1,0,0,0|1,0,0]=4 4560 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,2,1,0,0,0|1,0,0]=4 4561 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,2,1,0,0,0|1,0,0]=4 4562 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,2,1,0,0,0|1,0,0]=4 4563 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,2,1,0,0,0|1,0,0]=4 4564 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,2,1,0,0,0|1,0,0]=4 4565 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,2,1,0,0,0|1,0,0]=4 4566 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,2,1,0,0,0|1,0,0]=4 4567 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,2,1,0,0,0|1,0,0]=4 4568 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,2,1,0,0,0|1,0,0]=4 4569 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,2,1,0,0,0|1,0,0]=4 4570 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,2,1,0,0,0|1,0,0]=4 4571 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,2,1,0,0,0|1,0,0]=4 4572 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,2,1,0,0,0|0,0,0]=3 4573 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,2,1,0,0,0|1,0,0]=4 4574 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,2,1,0,0,0|1,0,0]=4 4575 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,2,1,0,0,0|1,0,0]=4 4576 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,2,1,0,0,0|1,0,0]=4 4577 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,2,1,0,0,0|1,0,0]=4 4578 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,2,1,0,0,0|1,0,0]=4 4579 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,2,1,0,0,0|1,0,0]=4 4580 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,2,1,0,0,0|1,0,0]=4 4581 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,2,1,0,0,0|1,0,0]=4 4582 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,2,1,0,0,0|1,0,0]=4 4583 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,2,1,0,0,0|1,0,0]=4 4584 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,2,1,0,0,0|1,0,0]=4 4585 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,2,1,0,0,0|1,0,0]=4 4586 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,2,1,0,0,0|1,0,0]=4 4587 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,2,1,0,0,0|1,0,0]=4 4588 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,2,1,0,0,0|1,0,0]=4 4589 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,2,1,0,0,0|1,0,0]=4 4590 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,2,1,0,0,0|1,0,0]=4 4591 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,2,1,0,0,0|1,0,0]=4 4592 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,2,1,0,0,0|1,0,0]=4 4593 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,2,1,0,0,0|0,0,0]=3 4594 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,2,1,0,0,0|1,0,0]=4 4595 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,2,1,0,0,0|1,0,0]=4 4596 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,2,1,0,0,0|1,0,0]=4 4597 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,2,1,0,0,0|1,0,0]=4 4598 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,2,1,0,0,0|1,0,0]=4 4599 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,2,1,0,0,0|1,0,0]=4 4600 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,2,1,0,0,0|1,0,0]=4 4601 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,2,1,0,0,0|1,0,0]=4 4602 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,2,1,0,0,0|1,0,0]=4 4603 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,2,1,0,0,0|1,0,0]=4 4604 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,2,1,0,0,0|1,0,0]=4 4605 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,2,1,0,0,0|1,0,0]=4 4606 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,2,1,0,0,0|1,0,0]=4 4607 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,2,1,0,0,0|1,0,0]=4 4608 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,2,1,0,0,0|1,0,0]=4 4609 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,2,1,0,0,0|1,0,0]=4 4610 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,2,1,0,0,0|1,0,0]=4 4611 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,2,1,0,0,0|1,0,0]=4 4612 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,2,1,0,0,0|1,0,0]=4 4613 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,2,1,0,0,0|0,0,0]=3 4614 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,2,1,0,0,0|0,0,0]=3 4615 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,2,1,0,0,0|0,0,0]=3 4616 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,2,1,0,0,0|0,0,0]=3 4617 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,2,1,0,0,0|0,0,0]=3 4618 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,2,1,0,0,0|0,0,0]=3 4619 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,2,1,0,0,0|0,1,0]=4 4620 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,2,1,0,0,0|0,1,0]=4 4621 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,2,1,0,0,0|0,1,0]=4 4622 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,2,1,0,0,0|0,1,0]=4 4623 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [0,2,1,0,0,0|1,0,0]=4 4624 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [0,2,1,0,0,0|1,0,0]=4 4625 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [0,2,1,0,0,0|1,0,0]=4 4626 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [0,2,1,0,0,0|1,0,0]=4 4627 B10R0.79 CCC[C@@H](CCO)NC(=O)C 240690a_100015193777_100015343762 [0,2,1,0,0,0|1,0,0]=4 4628 B10R0.79 CCC[C@@H](CCO)NC(=O)C 527a_100015193777_100103153847 [0,2,1,0,0,0|1,0,0]=4 4629 B10R1.3 CCC1CCC(CC1)OC 34a_100011215326_200000210301 [1,2,0,0,0,0|0,0,1]=4 4630 B10R1.3 CCC1CCC(CC1)OC 7a_100011215326_200000210301 [1,2,0,0,0,0|0,0,1]=4 4631 B10R1.3 CCC1CCC(CC1)O[13CH3] 34a_100011215326_200025704644 [1,2,0,0,0,0|0,0,1]=4 4632 B10R1.3 CCC1CCC(CC1)O[13CH3] 7a_100011215326_200025704644 [1,2,0,0,0,0|0,0,1]=4 4633 B10R1.3 CNC1CCC(CC1)OC 270004a_106832991635_100000747084 [1,2,0,0,0,0|0,0,1]=4 4634 B10R1.3 CNC1CCC(CC1)OC 34a_100015205214_200000210301 [1,2,0,0,0,0|0,0,1]=4 4635 B10R1.3 CN[C@H]1CC[C@H](CC1)OC 34a_100020636401_200000210301 [1,2,0,0,0,0|0,0,1]=4 4636 B10R1.3 CN[C@H]1CC[C@H](CC1)O[13CH3] 34a_100020636401_200025704644 [1,2,0,0,0,0|0,0,1]=4 4637 B10R1.3 COC1CCC(CC1)C#N 34a_100009859913_200000210301 [1,2,0,0,0,0|0,0,1]=4 4638 B10R1.3 COC1CCC(CC1)C#N 7a_100009859913_200000210301 [1,2,0,0,0,0|0,0,1]=4 4639 B10R1.3 COC1CCC(CC1)N[13CH3] 34a_100015205214_200025704644 [1,2,0,0,0,0|0,0,1]=4 4640 B10R1.3 COC1CCC(CC1)OC 34a_100011581665_200000210301 [1,2,0,0,0,0|0,0,1]=4 4641 B10R1.3 COC1CCC(CC1)OC 7a_100011581665_200000210301 [1,2,0,0,0,0|0,0,1]=4 4642 B10R1.3 COC1CCC(CC1)O[13CH3] 34a_100011581665_200025704644 [1,2,0,0,0,0|0,0,1]=4 4643 B10R1.3 COC1CCC(CC1)O[13CH3] 7a_100011581665_200025704644 [1,2,0,0,0,0|0,0,1]=4 4644 B10R1.3 [13CH3]OC1CCC(CC1)C#N 34a_100009859913_200025704644 [1,2,0,0,0,0|0,0,1]=4 4645 B10R1.3 [13CH3]OC1CCC(CC1)C#N 7a_100009859913_200025704644 [1,2,0,0,0,0|0,0,1]=4 4646 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [1,2,0,0,0,0|0,0,1]=4 4647 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [1,2,0,0,0,0|0,0,1]=4 4648 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [1,2,0,0,0,0|0,0,0]=3 4649 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [1,2,0,0,0,0|0,0,0]=3 4650 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [1,2,0,0,0,0|1,0,0]=4 4651 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [1,2,0,0,0,0|1,0,0]=4 4652 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [1,2,0,0,0,0|1,0,0]=4 4653 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [1,2,0,0,0,0|1,0,0]=4 4654 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [1,2,0,0,0,0|1,0,0]=4 4655 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [1,2,0,0,0,0|1,0,0]=4 4656 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [1,2,0,0,0,0|1,0,0]=4 4657 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [1,2,0,0,0,0|1,0,0]=4 4658 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [1,2,0,0,0,0|1,0,0]=4 4659 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [1,2,0,0,0,0|0,0,0]=3 4660 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [1,2,0,0,0,0|1,0,0]=4 4661 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [1,2,0,0,0,0|1,0,0]=4 4662 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [1,2,0,0,0,0|1,0,0]=4 4663 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [1,2,0,0,0,0|1,0,0]=4 4664 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [1,2,0,0,0,0|1,0,0]=4 4665 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [1,2,0,0,0,0|0,0,0]=3 4666 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [1,2,0,0,0,0|0,0,0]=3 4667 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [1,2,0,0,0,0|1,0,0]=4 4668 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [1,2,0,0,0,0|1,0,0]=4 4669 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [1,2,0,0,0,0|1,0,0]=4 4670 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [1,2,0,0,0,0|1,0,0]=4 4671 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [1,2,0,0,0,0|0,0,1]=4 4672 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [1,2,0,0,0,0|0,0,1]=4 4673 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [1,2,0,0,0,0|0,0,1]=4 4674 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [1,2,0,0,0,0|0,0,1]=4 4675 B10R1.26 CC1(CCC(CC1)O[13CH3])C 34a_100000703974_200025704644 [1,2,0,0,0,0|0,0,1]=4 4676 B10R1.26 CC1(CCC(CC1)O[13CH3])C 7a_100000703974_200025704644 [1,2,0,0,0,0|0,0,1]=4 4677 B10R1.26 COC1CCC(CC1)(C)C 34a_100000703974_200000210301 [1,2,0,0,0,0|0,0,1]=4 4678 B10R1.26 COC1CCC(CC1)(C)C 7a_100000703974_200000210301 [1,2,0,0,0,0|0,0,1]=4 4679 B10R1.26 COC1CCC(CC1)(F)F 34a_100000098475_200000210301 [1,2,0,0,0,0|0,0,1]=4 4680 B10R1.26 COC1CCC(CC1)(F)F 34a_100138415774_100009865109 [1,2,0,0,0,0|0,0,1]=4 4681 B10R1.26 COC1CCC(CC1)(F)F 7a_100000098475_200000210301 [1,2,0,0,0,0|0,0,1]=4 4682 B10R1.26 [13CH3]OC1CCC(CC1)(F)F 34a_100000098475_200025704644 [1,2,0,0,0,0|0,0,1]=4 4683 B10R1.26 [13CH3]OC1CCC(CC1)(F)F 7a_100000098475_200025704644 [1,2,0,0,0,0|0,0,1]=4 4684 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [1,2,0,0,0,0|0,0,1]=4 4685 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [1,2,0,0,0,0|0,0,1]=4 4686 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [1,2,0,0,0,0|0,0,1]=4 4687 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [1,2,0,0,0,0|0,0,1]=4 4688 B10R1.473 CO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_200000210301 [1,2,0,0,0,0|0,0,1]=4 4689 B10R1.473 C[C@@]1(CC[C@@H](CC1)N)O[13CH3] 34a_202125554758_200025704644 [1,2,0,0,0,0|0,0,1]=4 4690 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [1,2,0,0,0,0|0,0,1]=4 4691 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [1,2,0,0,0,0|0,0,1]=4 4692 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [1,2,0,0,0,0|0,0,1]=4 4693 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [1,2,0,0,0,0|0,0,1]=4 4694 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [1,2,0,0,0,0|0,0,1]=4 4695 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [1,2,0,0,0,0|0,0,1]=4 4696 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [1,2,0,0,0,0|0,0,1]=4 4697 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [1,2,0,0,0,0|0,0,1]=4 4698 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [1,2,0,0,0,0|0,0,0]=3 4699 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [1,2,0,0,0,0|0,0,0]=3 4700 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [1,2,0,0,0,0|1,0,0]=4 4701 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [1,2,0,0,0,0|1,0,0]=4 4702 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [1,2,0,0,0,0|1,0,0]=4 4703 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [1,2,0,0,0,0|1,0,0]=4 4704 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [1,2,0,0,0,0|1,0,0]=4 4705 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [1,2,0,0,0,0|1,0,0]=4 4706 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [1,2,0,0,0,0|1,0,0]=4 4707 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [1,2,0,0,0,0|1,0,0]=4 4708 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [1,2,0,0,0,0|1,0,0]=4 4709 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [1,2,0,0,0,0|1,0,0]=4 4710 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [1,2,0,0,0,0|0,0,0]=3 4711 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [1,2,0,0,0,0|1,0,0]=4 4712 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [1,2,0,0,0,0|1,0,0]=4 4713 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [1,2,0,0,0,0|1,0,0]=4 4714 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [1,2,0,0,0,0|1,0,0]=4 4715 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [1,2,0,0,0,0|0,0,0]=3 4716 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [1,2,0,0,0,0|1,0,0]=4 4717 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [1,2,0,0,0,0|1,0,0]=4 4718 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [1,2,0,0,0,0|1,0,0]=4 4719 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [1,2,0,0,0,0|0,0,1]=4 4720 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [1,2,0,0,0,0|0,0,1]=4 4721 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [1,2,0,0,0,0|0,0,1]=4 4722 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [1,2,0,0,0,0|0,0,1]=4 4723 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [1,2,0,0,0,0|0,0,1]=4 4724 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [1,2,0,0,0,0|0,0,1]=4 4725 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,2,0,0,0,0|0,0,1]=4 4726 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,2,0,0,0,0|0,0,0]=3 4727 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,2,0,0,0,0|0,0,0]=3 4728 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,2,0,0,0,0|1,0,0]=4 4729 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,2,0,0,0,0|1,0,0]=4 4730 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,2,0,0,0,0|1,0,0]=4 4731 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,2,0,0,0,0|1,0,0]=4 4732 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,2,0,0,0,0|1,0,0]=4 4733 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,2,0,0,0,0|0,0,0]=3 4734 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [1,2,0,0,0,0|1,0,0]=4 4735 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [1,2,0,0,0,0|1,0,0]=4 4736 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [1,2,0,0,0,0|1,0,0]=4 4737 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,2,0,0,0,0|1,0,0]=4 4738 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,2,0,0,0,0|1,0,0]=4 4739 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,2,0,0,0,0|0,0,0]=3 4740 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [1,2,0,0,0,0|1,0,0]=4 4741 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [1,2,0,0,0,0|1,0,0]=4 4742 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [1,2,0,0,0,0|1,0,0]=4 4743 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,2,0,0,0,0|1,0,0]=4 4744 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [1,2,0,0,0,0|0,0,0]=3 4745 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [1,2,0,0,0,0|0,0,0]=3 4746 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [1,2,0,0,0,0|0,0,0]=3 4747 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [1,2,0,0,0,0|1,0,0]=4 4748 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [1,2,0,0,0,0|1,0,0]=4 4749 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [1,2,0,0,0,0|1,0,0]=4 4750 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [1,2,0,0,0,0|0,0,0]=3 4751 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [1,2,0,0,0,0|1,0,0]=4 4752 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [1,2,0,0,0,0|0,0,0]=3 4753 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [1,2,0,0,0,0|0,0,0]=3 4754 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [1,2,0,0,0,0|1,0,0]=4 4755 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [1,2,0,0,0,0|1,0,0]=4 4756 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,2,0,0,0,0|0,0,1]=4 4757 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,2,0,0,0,0|0,0,1]=4 4758 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,2,0,0,0,0|0,0,1]=4 4759 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,2,0,0,0,0|0,0,1]=4 4760 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [1,2,0,0,0,0|0,0,1]=4 4761 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [1,2,0,0,0,0|0,0,1]=4 4762 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [1,2,0,0,0,0|0,0,1]=4 4763 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [1,2,0,0,0,0|0,0,1]=4 4764 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [1,2,0,0,0,0|0,0,1]=4 4765 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [1,2,0,0,0,0|0,0,1]=4 4766 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [1,2,0,0,0,0|0,0,1]=4 4767 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [1,2,0,0,0,0|0,0,1]=4 4768 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [1,2,0,0,0,0|0,0,1]=4 4769 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [1,2,0,0,0,0|0,0,1]=4 4770 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [1,2,0,0,0,0|0,0,1]=4 4771 B10R1.38 COC1CCCCC1(F)F 34a_100138415774_200009832135 [1,2,0,0,0,0|0,0,1]=4 4772 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [1,2,0,0,0,0|0,0,1]=4 4773 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [1,2,0,0,0,0|0,0,1]=4 4774 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [1,2,0,0,0,0|0,0,1]=4 4775 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [1,2,0,0,0,0|0,0,1]=4 4776 B10R1.487 C#CC1(CCCCC1)OC 34a_100011215672_200000210301 [1,2,0,0,0,0|0,0,1]=4 4777 B10R1.487 C#CC1(CCCCC1)OC 7a_100011215672_200000210301 [1,2,0,0,0,0|0,0,1]=4 4778 B10R1.487 C#CC1(CCCCC1)O[13CH3] 34a_100011215672_200025704644 [1,2,0,0,0,0|0,0,1]=4 4779 B10R1.487 C#CC1(CCCCC1)O[13CH3] 7a_100011215672_200025704644 [1,2,0,0,0,0|0,0,1]=4 4780 B10R1.487 C=CC1(CCCCC1)OC 34a_200011934219_200000210301 [1,2,0,0,0,0|0,0,1]=4 4781 B10R1.487 C=CC1(CCCCC1)OC 7a_200011934219_200000210301 [1,2,0,0,0,0|0,0,1]=4 4782 B10R1.487 C=CC1(CCCCC1)O[13CH3] 34a_200011934219_200025704644 [1,2,0,0,0,0|0,0,1]=4 4783 B10R1.487 C=CC1(CCCCC1)O[13CH3] 7a_200011934219_200025704644 [1,2,0,0,0,0|0,0,1]=4 4784 B10R1.487 CCC1(CCCCC1)OC 34a_100011216009_200000210301 [1,2,0,0,0,0|0,0,1]=4 4785 B10R1.487 CCC1(CCCCC1)OC 7a_100011216009_200000210301 [1,2,0,0,0,0|0,0,1]=4 4786 B10R1.487 CCC1(CCCCC1)O[13CH3] 34a_100011216009_200025704644 [1,2,0,0,0,0|0,0,1]=4 4787 B10R1.487 CCC1(CCCCC1)O[13CH3] 7a_100011216009_200025704644 [1,2,0,0,0,0|0,0,1]=4 4788 B10R1.487 COC1(CCCCC1)CN 34a_100000748649_200000210301 [1,2,0,0,0,0|0,0,1]=4 4789 B10R1.487 [13CH3]OC1(CCCCC1)CN 34a_100000748649_200025704644 [1,2,0,0,0,0|0,0,1]=4 4790 B10R1.16 C=CCOC1CCC(C1)C 34a_100000698185_100015514636 [0,2,0,0,1,0|1,0,0]=4 4791 B10R1.16 CC1CCC(C1)OCC=O 34a_100000698185_200009817547 [0,2,0,0,1,0|0,0,0]=3 4792 B10R1.16 O=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200015260668 [0,2,0,0,1,0|1,0,0]=4 4793 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,2,0,0,1,0|0,0,1]=4 4794 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,2,0,0,1,0|1,0,0]=4 4795 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,2,0,0,1,0|1,0,0]=4 4796 B10R1.11 CN(CC=O)C1CCCC1 2230a_100000207505_200015260668 [0,2,0,0,1,0|1,0,0]=4 4797 B10R1.11 CN(CC=O)C1CCCC1 269982a_100000207505_200015260668 [0,2,0,0,1,0|1,0,0]=4 4798 B10R1.11 CN(CC=O)C1CCCC1 34a_100000207505_200009817547 [0,2,0,0,1,0|1,0,0]=4 4799 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,2,0,0,1,0|1,0,0]=4 4800 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,2,0,0,1,0|1,0,0]=4 4801 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,2,0,0,1,0|1,0,0]=4 4802 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,2,0,0,1,0|1,0,0]=4 4803 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [0,2,0,0,1,0|1,0,0]=4 4804 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [0,2,0,0,1,0|1,0,0]=4 4805 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [0,2,0,0,1,0|1,0,0]=4 4806 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [0,2,0,0,1,0|1,0,0]=4 4807 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [0,2,0,0,1,0|1,0,0]=4 4808 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [0,2,0,0,1,0|1,0,0]=4 4809 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [0,2,0,0,1,0|1,0,0]=4 4810 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [0,2,0,0,1,0|1,0,0]=4 4811 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [0,2,0,0,1,0|1,0,0]=4 4812 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [0,2,0,0,1,0|1,0,0]=4 4813 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [0,2,0,0,1,0|1,0,0]=4 4814 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,2,0,0,1,0|1,0,0]=4 4815 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,2,0,0,1,0|1,0,0]=4 4816 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,2,0,0,1,0|0,0,0]=3 4817 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,2,0,0,1,0|0,0,0]=3 4818 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,2,0,0,1,0|1,0,0]=4 4819 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,2,0,0,1,0|1,0,0]=4 4820 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [0,2,0,0,1,0|1,0,0]=4 4821 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [0,2,0,0,1,0|1,0,0]=4 4822 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [0,2,0,0,1,0|1,0,0]=4 4823 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,2,0,0,1,0|0,1,0]=4 4824 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,2,0,0,1,0|0,1,0]=4 4825 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,2,0,0,1,0|1,0,0]=4 4826 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,2,0,0,1,0|1,0,0]=4 4827 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,2,0,0,1,0|1,0,0]=4 4828 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,2,0,0,1,0|1,0,0]=4 4829 B10R1.27 C=CC(C)OC1CCCC1 34a_100000695699_100000179811 [0,2,0,0,1,0|1,0,0]=4 4830 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,2,0,0,1,0|1,0,0]=4 4831 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,2,0,0,1,0|1,0,0]=4 4832 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,2,0,0,1,0|1,0,0]=4 4833 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,2,0,0,1,0|1,0,0]=4 4834 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,2,0,0,1,0|1,0,0]=4 4835 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,2,0,0,1,0|1,0,0]=4 4836 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,2,0,0,1,0|1,0,0]=4 4837 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,2,0,0,1,0|1,0,0]=4 4838 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,2,0,0,1,0|1,0,0]=4 4839 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,2,0,0,1,0|1,0,0]=4 4840 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,2,0,0,1,0|1,0,0]=4 4841 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,2,0,0,1,0|1,0,0]=4 4842 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,2,0,0,1,0|1,0,0]=4 4843 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,2,0,0,1,0|1,0,0]=4 4844 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,2,0,0,1,0|1,0,0]=4 4845 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,2,0,0,1,0|1,0,0]=4 4846 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,2,0,0,1,0|1,0,0]=4 4847 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,2,0,0,1,0|1,0,0]=4 4848 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,2,0,0,1,0|1,0,0]=4 4849 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,2,0,0,1,0|1,0,0]=4 4850 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [0,2,0,0,1,0|1,0,0]=4 4851 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [0,2,0,0,1,0|1,0,0]=4 4852 B10R1.29 C=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015514636 [0,2,0,0,1,0|1,0,0]=4 4853 B10R1.29 C=CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100015514636 [0,2,0,0,1,0|1,0,0]=4 4854 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [0,2,0,0,1,0|0,0,0]=3 4855 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [0,2,0,0,1,0|0,0,0]=3 4856 B10R1.29 C[C@@H]1CNC[C@@H]1OCC=O 34a_200015306588_200009817547 [0,2,0,0,1,0|1,0,0]=4 4857 B10R1.29 N[C@H]1CCC[C@@H]1OCC=O 34a_100000748460_200009817547 [0,2,0,0,1,0|0,0,0]=3 4858 B10R1.29 N[C@H]1COC[C@@H]1OCC=O 34a_100015191717_200009817547 [0,2,0,0,1,0|1,0,0]=4 4859 B10R1.29 O=CCOC1CCCC1=O 34a_200000719330_200009817547 [0,2,0,0,1,0|0,0,1]=4 4860 B10R1.29 O=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200009817547 [0,2,0,0,1,0|0,0,0]=3 4861 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [0,2,0,0,1,0|0,1,0]=4 4862 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [0,2,0,0,1,0|0,1,0]=4 4863 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,2,0,0,1,0|1,0,0]=4 4864 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,2,0,0,1,0|1,0,0]=4 4865 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,2,0,0,1,0|1,0,0]=4 4866 B10R1.66 C=C(F)COC1CCCC1 34a_100000210269_100009893438 [0,2,0,0,1,0|1,0,0]=4 4867 B10R1.66 C=C(F)COC1CCCC1 34a_200010262243_100000179811 [0,2,0,0,1,0|1,0,0]=4 4868 B10R1.66 C=C(F)COC1CCCC1 7a_100000210269_100000042424 [0,2,0,0,1,0|1,0,0]=4 4869 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,2,0,0,1,0|1,0,0]=4 4870 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,2,0,0,1,0|1,0,0]=4 4871 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,2,0,0,1,0|0,0,0]=3 4872 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,2,0,0,1,0|0,0,0]=3 4873 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,2,0,0,1,0|1,0,0]=4 4874 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,2,0,0,1,0|1,0,0]=4 4875 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,2,0,0,1,0|1,0,0]=4 4876 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,2,0,0,1,0|1,0,0]=4 4877 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,2,0,0,1,0|1,0,0]=4 4878 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,2,0,0,1,0|1,0,0]=4 4879 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,2,0,0,1,0|1,0,0]=4 4880 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,2,0,0,1,0|1,0,0]=4 4881 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,2,0,0,1,0|1,0,0]=4 4882 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,2,0,0,1,0|1,0,0]=4 4883 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,2,0,0,1,0|0,0,0]=3 4884 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,2,0,0,1,0|0,0,0]=3 4885 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,2,0,0,1,0|1,0,0]=4 4886 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [0,2,0,0,1,0|1,0,0]=4 4887 B10R1.66 NC(=O)CO[C@H]1CCOC1 34a_100000717292_100000187820 [0,2,0,0,1,0|1,0,0]=4 4888 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,2,0,0,1,0|0,1,0]=4 4889 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,2,0,0,1,0|0,1,0]=4 4890 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,2,0,0,1,0|1,0,0]=4 4891 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,2,0,0,1,0|1,0,0]=4 4892 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,2,0,0,1,0|0,0,0]=3 4893 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,2,0,0,1,0|1,0,0]=4 4894 B10R1.66 O=C([O-])CO[C@H]1CCOC1 34a_100000717292_100020667443 [0,2,0,0,1,0|1,0,0]=4 4895 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,2,0,0,1,0|0,1,0]=4 4896 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,2,0,0,1,0|0,1,0]=4 4897 B10R1.66 O=[N+]([O-])COC1CCCC1 34a_100000210269_100000761209 [0,2,0,0,1,0|0,0,1]=4 4898 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,2,0,0,1,0|1,0,0]=4 4899 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,2,0,0,1,0|0,0,0]=3 4900 B10R1.216 C=CCOC1(CCCC1)C 34a_100000751722_100015514636 [0,2,0,0,1,0|1,0,0]=4 4901 B10R1.216 C=CCOC1(CCCC1)C 7a_100000751722_100015514636 [0,2,0,0,1,0|1,0,0]=4 4902 B10R1.216 CC1(CCCC1)OCC=O 34a_100000751722_200009817547 [0,2,0,0,1,0|0,0,0]=3 4903 B10R1.216 CC1(CCCC1)OCC=O 7a_100000751722_200015260668 [0,2,0,0,1,0|0,0,0]=3 4904 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,2,0,0,1,0|1,0,0]=4 4905 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,2,0,0,1,0|1,0,0]=4 4906 B12R1.329 C=CCOC1C=CCCCCC1 34a_100000688657_100015514636 [0,1,0,0,0,2|1,0,0]=4 4907 B12R1.329 C=CCOC1CC/C=C\CCC1 34a_100016989180_100015514636 [0,1,0,0,0,2|1,0,0]=4 4908 B12R1.329 C=CCOC1CC/C=C\CCC1 34a_200000210373_100021000466 [0,1,0,0,0,2|1,0,0]=4 4909 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,1,0,0,0,2|1,0,0]=4 4910 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,1,0,0,0,2|1,0,0]=4 4911 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [0,1,0,0,0,2|1,0,0]=4 4912 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [0,1,0,0,0,2|1,0,0]=4 4913 B12R1.329 O=CCOC1C=CCCCCC1 34a_100000688657_200009817547 [0,1,0,0,0,2|0,0,0]=3 4914 B12R1.329 O=CCOC1CC/C=C\CCC1 34a_100016989180_200009817547 [0,1,0,0,0,2|0,0,0]=3 4915 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [0,1,0,0,0,2|0,0,0]=3 4916 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [0,1,0,0,0,2|0,0,0]=3 4917 B12R1.329 O=CCSC1CC/C=C\CCC1 62a_100021000466_200015260668 [0,1,0,0,0,2|0,1,0]=4 4918 B12R1.329 O=CCSC1CC/C=C\CCC1 62a_200015260668_100021000466 [0,1,0,0,0,2|0,1,0]=4 4919 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,1,0,0,0,2|1,0,0]=4 4920 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,1,0,0,0,2|1,0,0]=4 4921 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,1,0,0,0,2|1,0,0]=4 4922 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,1,0,0,0,2|1,0,0]=4 4923 B12R1.18 O=CCSC1CCCCCC1=O 62a_100000243696_200015260668 [0,2,0,0,0,1|0,1,0]=4 4924 B12R1.18 O=CCSC1CCCCCC1=O 62a_200015260668_100000243696 [0,2,0,0,0,1|0,1,0]=4 4925 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,2,0,0,0,1|1,0,0]=4 4926 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,2,0,0,0,1|1,0,0]=4 4927 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,2,0,0,0,1|1,0,0]=4 4928 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,2,0,0,0,1|1,0,0]=4 4929 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,2,0,0,0,1|1,0,0]=4 4930 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,2,0,0,0,1|1,0,0]=4 4931 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,2,0,0,0,1|0,0,0]=3 4932 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,2,0,0,0,1|1,0,0]=4 4933 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,2,0,0,0,1|1,0,0]=4 4934 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,2,0,0,0,1|1,0,0]=4 4935 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,2,0,0,0,1|1,0,0]=4 4936 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,2,0,0,0,1|1,0,0]=4 4937 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,2,0,0,0,1|1,0,0]=4 4938 B12R1.1343 CC(=O)OCN1CCCOCC1 269982a_100000685342_100000076356 [0,2,0,0,0,1|1,0,0]=4 4939 B12R1.1343 CC(=O)OCN1CCCOCC1 34a_100000685342_100009813279 [0,2,0,0,0,1|1,0,0]=4 4940 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,2,0,0,0,1|1,0,0]=4 4941 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,2,0,0,0,1|1,0,0]=4 4942 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,2,0,0,0,1|0,0,0]=3 4943 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,2,0,0,0,1|0,0,0]=3 4944 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,2,0,0,0,1|0,1,0]=4 4945 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,2,0,0,0,1|0,1,0]=4 4946 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,2,0,0,0,1|1,0,0]=4 4947 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,2,0,0,0,1|1,0,0]=4 4948 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,2,0,0,0,1|0,0,0]=3 4949 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,2,0,0,0,1|0,1,0]=4 4950 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,2,0,0,0,1|0,1,0]=4 4951 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 34a_100000210887_100000761209 [0,2,0,0,0,1|0,0,1]=4 4952 B12R1.1414 C/C=C/COC1CCCCCC1 34a_100000210887_100102629194 [0,2,0,0,0,1|1,0,0]=4 4953 B12R1.1414 C/C=C/COC1CCCCCC1 34a_100016270725_100011217769 [0,2,0,0,0,1|1,0,0]=4 4954 B12R1.1414 C/C=C/COC1CCCCCC1 7a_100000210887_100102629194 [0,2,0,0,0,1|1,0,0]=4 4955 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [0,2,0,0,0,1|1,0,0]=4 4956 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [0,2,0,0,0,1|1,0,0]=4 4957 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [0,2,0,0,0,1|1,0,0]=4 4958 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,2,0,0,0,1|1,0,0]=4 4959 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,2,0,0,0,1|1,0,0]=4 4960 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,2,0,0,0,1|1,0,0]=4 4961 B12R1.1414 CC=CCOC1CCCCCC1 34a_100000210887_100000070051 [0,2,0,0,0,1|1,0,0]=4 4962 B12R1.1414 CC=CCOC1CCCCCC1 7a_100000210887_100000070051 [0,2,0,0,0,1|1,0,0]=4 4963 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [0,2,0,0,0,1|1,0,0]=4 4964 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [0,2,0,0,0,1|1,0,0]=4 4965 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [0,2,0,0,0,1|0,0,0]=3 4966 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [0,2,0,0,0,1|0,0,0]=3 4967 B12R1.1414 O=CCOCC1CNCCOC1 34a_100103147999_200009817547 [0,2,0,0,0,1|1,0,0]=4 4968 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [0,2,0,0,0,1|0,1,0]=4 4969 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [0,2,0,0,0,1|0,1,0]=4 4970 B12R1.1564 CN(CC=O)C1CCCCCC1 2230a_100015185097_200015260668 [0,2,0,0,0,1|1,0,0]=4 4971 B12R1.1564 CN(CC=O)C1CCCCCC1 269982a_100015185097_200015260668 [0,2,0,0,0,1|1,0,0]=4 4972 B12R1.1564 CN(CC=O)C1CCCCCC1 34a_100015185097_200009817547 [0,2,0,0,0,1|1,0,0]=4 4973 B12R1.1748 C#CC(=O)CC1CCCCCC1 1458a_100000211873_200000696569 [0,2,0,0,0,1|1,0,0]=4 4974 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,2,0,0,0,1|1,0,0]=4 4975 B12R1.1748 C=CC(=O)NC1CCCCCC1 1626a_100000210984_100000185746 [0,2,0,0,0,1|1,0,0]=4 4976 B12R1.1748 C=CC(=O)NC1CCCCCC1 240690a_100000210984_200121576911 [0,2,0,0,0,1|1,0,0]=4 4977 B12R1.1748 C=CC(C)OC1CCCCCC1 34a_100000695699_100011217769 [0,2,0,0,0,1|1,0,0]=4 4978 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,2,0,0,0,1|1,0,0]=4 4979 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,2,0,0,0,1|1,0,0]=4 4980 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,2,0,0,0,1|1,0,0]=4 4981 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,2,0,0,0,1|1,0,0]=4 4982 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,2,0,0,0,1|1,0,0]=4 4983 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,2,0,0,0,1|1,0,0]=4 4984 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,2,0,0,0,1|1,0,0]=4 4985 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,2,0,0,0,1|1,0,0]=4 4986 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,2,0,0,0,1|1,0,0]=4 4987 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,2,0,0,0,1|1,0,0]=4 4988 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,2,0,0,0,1|1,0,0]=4 4989 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,2,0,0,0,1|1,0,0]=4 4990 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,2,0,0,0,1|1,0,0]=4 4991 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,2,0,0,0,1|1,0,0]=4 4992 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,2,0,0,0,1|1,0,0]=4 4993 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,2,0,0,0,1|1,0,0]=4 4994 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,2,0,0,0,1|1,0,0]=4 4995 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,2,0,0,0,1|1,0,0]=4 4996 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,2,0,0,0,1|1,0,0]=4 4997 B12R1.1785 C=CCOC1(CCCCCC1)C 34a_100000708895_100015514636 [0,2,0,0,0,1|1,0,0]=4 4998 B12R1.1785 C=CCOC1(CCCCCC1)C 7a_100000708895_100015514636 [0,2,0,0,0,1|1,0,0]=4 4999 B12R1.1785 C=CCOC1(CCCNCC1)C 34a_100000723723_100015514636 [0,2,0,0,0,1|1,0,0]=4 5000 B12R1.1785 CC1(CCCCCC1)NCC=O 2230a_100000704638_200015260668 [0,2,0,0,0,1|1,0,0]=4 5001 B12R1.1785 CC1(CCCCCC1)NCC=O 34a_100000704638_200009817547 [0,2,0,0,0,1|1,0,0]=4 5002 B12R1.1785 CC1(CCCCCC1)OCC=O 34a_100000708895_200009817547 [0,2,0,0,0,1|0,0,0]=3 5003 B12R1.1785 CC1(CCCCCC1)OCC=O 7a_100000708895_200015260668 [0,2,0,0,0,1|0,0,0]=3 5004 B12R1.1785 CC1(CCCNCC1)OCC=O 34a_100000723723_200009817547 [0,2,0,0,0,1|0,0,0]=3 5005 B12R1.1829 CC(=O)NC1(CCCCCC1)C 11a_100000704638_100015343762 [0,2,0,0,0,1|1,0,0]=4 5006 B12R1.1829 CC(=O)NC1(CCCCCC1)C 1626a_100000704638_100015343762 [0,2,0,0,0,1|1,0,0]=4 5007 B12R1.1829 CC(=O)NC1(CCCCCC1)C 240690a_100000704638_100015343762 [0,2,0,0,0,1|1,0,0]=4 5008 B12R1.1829 CC(=O)NC1(CCCCCC1)C 527a_100000704638_100103153847 [0,2,0,0,0,1|1,0,0]=4 5009 B12R1.2197 CC(=O)N(C)C1CCCCCC1 11a_100015185097_100015343762 [0,2,0,0,0,1|1,0,0]=4 5010 B12R1.2197 CC(=O)N(C)C1CCCCCC1 1626a_100015185097_100015343762 [0,2,0,0,0,1|1,0,0]=4 5011 B12R1.2197 CC(=O)N(C)C1CCCCCC1 240690a_100015185097_100015343762 [0,2,0,0,0,1|1,0,0]=4 5012 B12R1.2197 CC(=O)N(C)C1CCCCCC1 527a_100015185097_100103153847 [0,2,0,0,0,1|1,0,0]=4 5013 B12R1.1 C/C=C/COC1CCC(CC1)C 34a_100000210714_100102629194 [0,3,0,0,0,0|1,0,0]=4 5014 B12R1.1 C/C=C/COC1CCC(CC1)C 34a_100016270725_200011216234 [0,3,0,0,0,0|1,0,0]=4 5015 B12R1.1 C/C=C/COC1CCC(CC1)C 7a_100000210714_100102629194 [0,3,0,0,0,0|1,0,0]=4 5016 B12R1.1 C/C=C/CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100102629194 [0,3,0,0,0,0|1,0,0]=4 5017 B12R1.1 C=C1CCC(CC1)COCC=O 34a_100000074039_200009817547 [0,3,0,0,0,0|0,0,1]=4 5018 B12R1.1 C=CCCOC1CCC(CC1)C 34a_100000210714_100000754431 [0,3,0,0,0,0|1,0,0]=4 5019 B12R1.1 C=CCCOC1CCC(CC1)C 34a_100011205117_200011216234 [0,3,0,0,0,0|1,0,0]=4 5020 B12R1.1 C=CCCOC1CCC(CC1)C 7a_100000210714_100000754431 [0,3,0,0,0,0|1,0,0]=4 5021 B12R1.1 C=CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000754431 [0,3,0,0,0,0|1,0,0]=4 5022 B12R1.1 C=CCOCC1CCC(CC1)C 34a_100000701341_100015514636 [0,3,0,0,0,0|1,0,0]=4 5023 B12R1.1 C=CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100015514636 [0,3,0,0,0,0|1,0,0]=4 5024 B12R1.1 CC1CCC(CC1)CNCC=O 2230a_103436935547_200015260668 [0,3,0,0,0,0|1,0,0]=4 5025 B12R1.1 CC1CCC(CC1)CNCC=O 34a_103436935547_200009817547 [0,3,0,0,0,0|1,0,0]=4 5026 B12R1.1 CC1CCC(CC1)COCC=O 34a_100000701341_200009817547 [0,3,0,0,0,0|0,0,0]=3 5027 B12R1.1 CC=CCOC1CCC(CC1)C 34a_100000210714_100000070051 [0,3,0,0,0,0|1,0,0]=4 5028 B12R1.1 CC=CCOC1CCC(CC1)C 7a_100000210714_100000070051 [0,3,0,0,0,0|1,0,0]=4 5029 B12R1.1 CC=CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000070051 [0,3,0,0,0,0|1,0,0]=4 5030 B12R1.1 N[C@H]1CC[C@@H](CC1)COCC=O 34a_100009821084_200009817547 [0,3,0,0,0,0|0,0,0]=3 5031 B12R1.1 O=CCOCC1CCC(=O)CC1 34a_100000062911_200009817547 [0,3,0,0,0,0|0,0,1]=4 5032 B12R1.16 CN(CC=O)[C@H]1CC[C@H](CC1)O 2230a_100020636401_200015260668 [0,3,0,0,0,0|1,0,0]=4 5033 B12R1.16 CN(CC=O)[C@H]1CC[C@H](CC1)O 269982a_100020636401_200015260668 [0,3,0,0,0,0|1,0,0]=4 5034 B12R1.21 C=C(C)COC1CCC(CC1)C 34a_100000210245_200011216234 [0,3,0,0,0,0|1,0,0]=4 5035 B12R1.21 C=C(C)COC1CCC(CC1)C 34a_100000210714_100000748629 [0,3,0,0,0,0|1,0,0]=4 5036 B12R1.21 C=C(C)COC1CCC(CC1)C 7a_100000210714_100000748629 [0,3,0,0,0,0|1,0,0]=4 5037 B12R1.21 C=C(C)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000748629 [0,3,0,0,0,0|1,0,0]=4 5038 B12R1.21 C=C(F)COC1CCC(CC1)C 34a_100000210714_100009893438 [0,3,0,0,0,0|1,0,0]=4 5039 B12R1.21 C=C(F)COC1CCC(CC1)C 34a_200010262243_200011216234 [0,3,0,0,0,0|1,0,0]=4 5040 B12R1.21 C=C(F)COC1CCC(CC1)C 7a_100000210714_100000042424 [0,3,0,0,0,0|1,0,0]=4 5041 B12R1.21 C=C(F)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009893438 [0,3,0,0,0,0|1,0,0]=4 5042 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,3,0,0,0,0|0,0,0]=3 5043 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,3,0,0,0,0|1,0,0]=4 5044 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,3,0,0,0,0|1,0,0]=4 5045 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,3,0,0,0,0|1,0,0]=4 5046 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,3,0,0,0,0|1,0,0]=4 5047 B12R1.21 CC(=O)OCC1CCN(CC1)C 2230a_100025751628_200000210301 [0,3,0,0,0,0|1,0,0]=4 5048 B12R1.21 CC(=O)OCC1CCN(CC1)C 269982a_100025751628_200000210301 [0,3,0,0,0,0|1,0,0]=4 5049 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 2230a_100025751628_200025704644 [0,3,0,0,0,0|1,0,0]=4 5050 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 269982a_100025751628_200025704644 [0,3,0,0,0,0|1,0,0]=4 5051 B12R1.21 CC(=O)OCN1CCC(CC1)C 269982a_100000188429_100000076356 [0,3,0,0,0,0|1,0,0]=4 5052 B12R1.21 CC(=O)OCN1CCC(CC1)C 34a_100000188429_100009813279 [0,3,0,0,0,0|1,0,0]=4 5053 B12R1.21 CC(=O)OCN1CCC(CC1)F 269982a_100015193889_100000076356 [0,3,0,0,0,0|1,0,0]=4 5054 B12R1.21 CC(=O)OCN1CCC(CC1)F 34a_100015193889_100009813279 [0,3,0,0,0,0|1,0,0]=4 5055 B12R1.21 CC(=O)OCN1CCC(CC1)O 269982a_100025773856_100000076356 [0,3,0,0,0,0|1,0,0]=4 5056 B12R1.21 CC1CCC(CC1)NCC(=O)O 269956a_100016091260_200011216234 [0,3,0,0,0,0|1,0,0]=4 5057 B12R1.21 CC1CCC(CC1)OCC(=O)N 34a_100000210714_100000187820 [0,3,0,0,0,0|0,0,0]=3 5058 B12R1.21 CC1CCC(CC1)OCC(=O)N 7a_100000210714_100000187820 [0,3,0,0,0,0|0,0,0]=3 5059 B12R1.21 CC1CCC(CC1)OCC(=O)[O-] 34a_100000210714_100020667443 [0,3,0,0,0,0|0,0,0]=3 5060 B12R1.21 CC1CCC(CC1)OC[N+](=O)[O-] 34a_100000210714_100000761209 [0,3,0,0,0,0|0,0,1]=4 5061 B12R1.21 CC1CCC(CC1)SCC(=O)N 62a_100000747473_200011216234 [0,3,0,0,0,0|0,1,0]=4 5062 B12R1.21 CC1CCC(CC1)SCC(=O)[O-] 62a_100020667443_200011216234 [0,3,0,0,0,0|0,1,0]=4 5063 B12R1.21 CN1CCC(CC1)OCC(=O)N 2230a_100000765839_200000210301 [0,3,0,0,0,0|1,0,0]=4 5064 B12R1.21 CN1CCC(CC1)OCC(=O)N 269982a_100000765839_200000210301 [0,3,0,0,0,0|1,0,0]=4 5065 B12R1.21 CN1CCC(CC1)OCC(=O)N 34a_100000765839_200000210301 [0,3,0,0,0,0|1,0,0]=4 5066 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 2230a_100020625639_100000747473 [0,3,0,0,0,0|1,0,0]=4 5067 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 34a_100020625639_100000187820 [0,3,0,0,0,0|1,0,0]=4 5068 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)[O-] 34a_100020625639_100020667443 [0,3,0,0,0,0|1,0,0]=4 5069 B12R1.21 NC(=O)COC1CCC(=O)CC1 34a_100000764474_100000187820 [0,3,0,0,0,0|0,0,1]=4 5070 B12R1.21 NC(=O)COC1CCC(=O)CC1 7a_100000764474_100000187820 [0,3,0,0,0,0|0,0,1]=4 5071 B12R1.21 NC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000187820 [0,3,0,0,0,0|0,0,0]=3 5072 B12R1.21 N[C@H]1CC[C@H](CC1)OCC(=O)[O-] 34a_100020628982_100020667443 [0,3,0,0,0,0|0,0,0]=3 5073 B12R1.21 N[C@H]1CC[C@H](CC1)OC[N+](=O)[O-] 34a_100020628982_100000761209 [0,3,0,0,0,0|0,0,1]=4 5074 B12R1.21 O=C([O-])COC1CCC(=O)CC1 34a_100000764474_100020667443 [0,3,0,0,0,0|0,0,1]=4 5075 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 2230a_100000765839_200025704644 [0,3,0,0,0,0|1,0,0]=4 5076 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 269982a_100000765839_200025704644 [0,3,0,0,0,0|1,0,0]=4 5077 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 34a_100000765839_200025704644 [0,3,0,0,0,0|1,0,0]=4 5078 B12R1.49 C=CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000185746 [0,3,0,0,0,0|1,0,0]=4 5079 B12R1.49 C=CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_200121576911 [0,3,0,0,0,0|1,0,0]=4 5080 B12R1.49 C=CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000185746 [0,3,0,0,0,0|1,0,0]=4 5081 B12R1.49 C=CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_200121576911 [0,3,0,0,0,0|1,0,0]=4 5082 B12R1.49 C=CC(C)OC1CCC(CC1)C 34a_100000695699_200011216234 [0,3,0,0,0,0|1,0,0]=4 5083 B12R1.49 CC1CCC(CC1)CC(=O)CF 1458a_100011215564_100015361967 [0,3,0,0,0,0|1,0,0]=4 5084 B12R1.49 CCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210202 [0,3,0,0,0,0|1,0,0]=4 5085 B12R1.49 CCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210202 [0,3,0,0,0,0|1,0,0]=4 5086 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210414 [0,3,0,0,0,0|1,0,0]=4 5087 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210414 [0,3,0,0,0,0|1,0,0]=4 5088 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000210414 [0,3,0,0,0,0|1,0,0]=4 5089 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000210414 [0,3,0,0,0,0|1,0,0]=4 5090 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210414 [0,3,0,0,0,0|1,0,0]=4 5091 B12R1.49 CNC(=O)CC1CCC(CC1)C 11a_106832991635_100011215564 [0,3,0,0,0,0|1,0,0]=4 5092 B12R1.49 CNC(=O)CC1CCC(CC1)C 1626a_100102657272_100011215564 [0,3,0,0,0,0|1,0,0]=4 5093 B12R1.49 CNC(=O)CC1CCC(CC1)C 240690a_100102657272_100011215564 [0,3,0,0,0,0|1,0,0]=4 5094 B12R1.49 CNC(=O)CC1CCC(CC1)C 527a_100102657272_100011215564 [0,3,0,0,0,0|1,0,0]=4 5095 B12R1.49 CNC(=O)CC1CCC(CC1)O 1626a_100102657272_100012184027 [0,3,0,0,0,0|1,0,0]=4 5096 B12R1.49 CNC(=O)CC1CCC(CC1)O 240690a_100102657272_100012184027 [0,3,0,0,0,0|1,0,0]=4 5097 B12R1.49 CNC(=O)CC1CCC(CC1)O 527a_100102657272_100012184027 [0,3,0,0,0,0|1,0,0]=4 5098 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100020625639_106832991635 [0,3,0,0,0,0|1,0,0]=4 5099 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100102657272_100020625639 [0,3,0,0,0,0|1,0,0]=4 5100 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100102657272 [0,3,0,0,0,0|1,0,0]=4 5101 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100102657272_100020625639 [0,3,0,0,0,0|1,0,0]=4 5102 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100020628982_106832991635 [0,3,0,0,0,0|1,0,0]=4 5103 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100102657272_100020628982 [0,3,0,0,0,0|1,0,0]=4 5104 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100020628982_100102657272 [0,3,0,0,0,0|1,0,0]=4 5105 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100102657272_100020628982 [0,3,0,0,0,0|1,0,0]=4 5106 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 512a_106832991638_100020628982 [0,3,0,0,0,0|1,0,0]=4 5107 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 240690a_100020625639_100000210174 [0,3,0,0,0,0|1,0,0]=4 5108 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 527a_100020625639_100000210174 [0,3,0,0,0,0|1,0,0]=4 5109 B12R1.49 O=C(CF)CC1CCC(CC1)O 1458a_100012184027_100015361967 [0,3,0,0,0,0|1,0,0]=4 5110 B12R1.49 O=C(CO)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210174 [0,3,0,0,0,0|1,0,0]=4 5111 B12R1.69 C=CCOC1CCC(CC1C)C 34a_100011539931_100015514636 [0,3,0,0,0,0|1,0,0]=4 5112 B12R1.69 C=CCOC1CCC(CC1C)C 7a_100011539931_100015514636 [0,3,0,0,0,0|1,0,0]=4 5113 B12R1.69 CC1CCC(C(C1)C)OCC=O 34a_100011539931_200009817547 [0,3,0,0,0,0|0,0,0]=3 5114 B12R1.69 CC1CCC(C(C1)C)OCC=O 7a_100011539931_200015260668 [0,3,0,0,0,0|0,0,0]=3 5115 B12R1.70 C=CCOC1CCC(CC1)(C)C 34a_100000703974_100015514636 [0,3,0,0,0,0|1,0,0]=4 5116 B12R1.70 C=CCOC1CCC(CC1)(C)C 7a_100000703974_100015514636 [0,3,0,0,0,0|1,0,0]=4 5117 B12R1.70 C=CCOC1CCC(CC1)(F)F 34a_100000098475_100015514636 [0,3,0,0,0,0|1,0,0]=4 5118 B12R1.70 C=CCOC1CCC(CC1)(F)F 34a_200000210373_100009865109 [0,3,0,0,0,0|1,0,0]=4 5119 B12R1.70 C=CCOC1CCC(CC1)(F)F 7a_100000098475_100015514636 [0,3,0,0,0,0|1,0,0]=4 5120 B12R1.70 CC1(CCC(CC1)NCC=O)C 2230a_100000757809_200015260668 [0,3,0,0,0,0|1,0,0]=4 5121 B12R1.70 CC1(CCC(CC1)NCC=O)C 34a_100000757809_200009817547 [0,3,0,0,0,0|1,0,0]=4 5122 B12R1.70 CC1(CCC(CC1)OCC=O)C 34a_100000703974_200009817547 [0,3,0,0,0,0|0,0,0]=3 5123 B12R1.70 CC1(CCC(CC1)OCC=O)C 7a_100000703974_200015260668 [0,3,0,0,0,0|0,0,0]=3 5124 B12R1.70 C[C@@]1(CC[C@@H](CC1)NCC=O)O 2230a_202125554758_200015260668 [0,3,0,0,0,0|1,0,0]=4 5125 B12R1.70 C[C@@]1(CC[C@@H](CC1)NCC=O)O 34a_202125554758_200009817547 [0,3,0,0,0,0|1,0,0]=4 5126 B12R1.70 O=CCNC1CCC(CC1)(F)F 2230a_100000694335_200015260668 [0,3,0,0,0,0|1,0,0]=4 5127 B12R1.70 O=CCNC1CCC(CC1)(F)F 34a_100000694335_200009817547 [0,3,0,0,0,0|1,0,0]=4 5128 B12R1.70 O=CCOC1CCC(CC1)(F)F 34a_100000098475_200009817547 [0,3,0,0,0,0|0,0,0]=3 5129 B12R1.70 O=CCOC1CCC(CC1)(F)F 7a_100000098475_200015260668 [0,3,0,0,0,0|0,0,0]=3 5130 B12R1.70 O=CCOC1CCS(=O)(=O)CC1 34a_100011349575_200009817547 [0,3,0,0,0,0|1,0,0]=4 5131 B12R1.70 O=CCOC1CCS(=O)(=O)CC1 7a_100011349575_200015260668 [0,3,0,0,0,0|1,0,0]=4 5132 B12R1.70 O=CCSC1CCC(CC1)(F)F 62a_100009865109_200015260668 [0,3,0,0,0,0|0,1,0]=4 5133 B12R1.70 O=CCSC1CCC(CC1)(F)F 62a_200015260668_100009865109 [0,3,0,0,0,0|0,1,0]=4 5134 B12R1.71 C=CCOC1CCC(CC1)C#N 34a_100009859913_100015514636 [0,3,0,0,0,0|1,0,0]=4 5135 B12R1.71 C=CCOC1CCC(CC1)C#N 7a_100009859913_100015514636 [0,3,0,0,0,0|1,0,0]=4 5136 B12R1.71 C=CCOC1CCC(CC1)CC 34a_100011215326_100015514636 [0,3,0,0,0,0|1,0,0]=4 5137 B12R1.71 C=CCOC1CCC(CC1)CC 7a_100011215326_100015514636 [0,3,0,0,0,0|1,0,0]=4 5138 B12R1.71 C=CCOC1CCC(CC1)OC 34a_100011581665_100015514636 [0,3,0,0,0,0|1,0,0]=4 5139 B12R1.71 C=CCOC1CCC(CC1)OC 7a_100011581665_100015514636 [0,3,0,0,0,0|1,0,0]=4 5140 B12R1.71 C=CCO[C@H]1CC[C@H](CC1)NC 34a_100020636401_100015514636 [0,3,0,0,0,0|1,0,0]=4 5141 B12R1.71 CCC1CCC(CC1)NCC=O 2230a_100011194317_200015260668 [0,3,0,0,0,0|1,0,0]=4 5142 B12R1.71 CCC1CCC(CC1)NCC=O 34a_100011194317_200009817547 [0,3,0,0,0,0|1,0,0]=4 5143 B12R1.71 CCC1CCC(CC1)OCC=O 34a_100011215326_200009817547 [0,3,0,0,0,0|0,0,0]=3 5144 B12R1.71 CCC1CCC(CC1)OCC=O 7a_100011215326_200015260668 [0,3,0,0,0,0|0,0,0]=3 5145 B12R1.71 CCN1CCC(CC1)OCC=O 7a_100000231353_200015260668 [0,3,0,0,0,0|1,0,0]=4 5146 B12R1.71 CN[C@H]1CC[C@H](CC1)OCC=O 34a_100020636401_200009817547 [0,3,0,0,0,0|0,0,0]=3 5147 B12R1.71 COC1CCC(CC1)NCC=O 34a_100015205214_200009817547 [0,3,0,0,0,0|1,0,0]=4 5148 B12R1.71 COC1CCC(CC1)OCC=O 34a_100011581665_200009817547 [0,3,0,0,0,0|0,0,0]=3 5149 B12R1.71 COC1CCC(CC1)OCC=O 7a_100011581665_200015260668 [0,3,0,0,0,0|0,0,0]=3 5150 B12R1.71 N#CC1CCC(CC1)NCC=O 2230a_100102422146_200015260668 [0,3,0,0,0,0|1,0,0]=4 5151 B12R1.71 N#CC1CCC(CC1)NCC=O 34a_100102422146_200009817547 [0,3,0,0,0,0|1,0,0]=4 5152 B12R1.71 N#CC1CCC(CC1)OCC=O 34a_100009859913_200009817547 [0,3,0,0,0,0|0,0,0]=3 5153 B12R1.71 N#CC1CCC(CC1)OCC=O 7a_100009859913_200015260668 [0,3,0,0,0,0|0,0,0]=3 5154 B12R1.71 O=CCN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_200009817547 [0,3,0,0,0,0|1,0,0]=4 5155 B12R1.385 C=CCOC1CCC(C(C1)C)C 34a_100011215933_100015514636 [0,3,0,0,0,0|1,0,0]=4 5156 B12R1.385 C=CCOC1CCC(C(C1)C)C 7a_100011215933_100015514636 [0,3,0,0,0,0|1,0,0]=4 5157 B12R1.385 CC1CCC(CC1C)OCC=O 34a_100011215933_200009817547 [0,3,0,0,0,0|0,0,0]=3 5158 B12R1.385 CC1CCC(CC1C)OCC=O 7a_100011215933_200015260668 [0,3,0,0,0,0|0,0,0]=3 5159 B12R1.2259 C=CCO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_100015514636 [0,3,0,0,0,0|1,0,0]=4 5160 B12R1.2259 CC1(CCC(=O)CC1)OCC=O 34a_100012184276_200009817547 [0,3,0,0,0,0|0,0,1]=4 5161 B12R1.2259 CC1(CCC(=O)CC1)OCC=O 7a_100012184276_200015260668 [0,3,0,0,0,0|0,0,1]=4 5162 B12R1.2259 C[C@@]1(CC[C@@H](CC1)N)OCC=O 34a_202125554758_200009817547 [0,3,0,0,0,0|0,0,0]=3 5163 B12R1.4 CC(=O)NC1CCC(CC1)C#N 11a_100102422146_100015343762 [0,3,0,0,0,0|1,0,0]=4 5164 B12R1.4 CC(=O)NC1CCC(CC1)C#N 1626a_100102422146_100015343762 [0,3,0,0,0,0|1,0,0]=4 5165 B12R1.4 CC(=O)NC1CCC(CC1)C#N 240690a_100102422146_100015343762 [0,3,0,0,0,0|1,0,0]=4 5166 B12R1.4 CC(=O)NC1CCC(CC1)C#N 527a_100102422146_100103153847 [0,3,0,0,0,0|1,0,0]=4 5167 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 34a_100000161027_200025704644 [0,3,0,0,0,0|1,0,0]=4 5168 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 7a_100000161027_200025704644 [0,3,0,0,0,0|1,0,0]=4 5169 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100015343762 [0,3,0,0,0,0|1,0,0]=4 5170 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100103153847 [0,3,0,0,0,0|1,0,0]=4 5171 B12R1.4 CCC1CCC(CC1)NC(=O)C 11a_100011194317_100015343762 [0,3,0,0,0,0|1,0,0]=4 5172 B12R1.4 CCC1CCC(CC1)NC(=O)C 1626a_100011194317_100015343762 [0,3,0,0,0,0|1,0,0]=4 5173 B12R1.4 CCC1CCC(CC1)NC(=O)C 240690a_100011194317_100015343762 [0,3,0,0,0,0|1,0,0]=4 5174 B12R1.4 CCC1CCC(CC1)NC(=O)C 527a_100011194317_100103153847 [0,3,0,0,0,0|1,0,0]=4 5175 B12R1.4 CNC1CCC(CC1)NC(=O)C 270004a_106832991635_100000735651 [0,3,0,0,0,0|1,0,0]=4 5176 B12R1.4 CNC1CCC(CC1)OC(=O)C 270004a_106832991635_200000086378 [0,3,0,0,0,0|0,0,0]=3 5177 B12R1.4 COC1CCC(CC1)CC(=O)C 1458a_100000070787_100013032858 [0,3,0,0,0,0|1,0,0]=4 5178 B12R1.4 COC1CCC(CC1)NC(=O)C 11a_100015205214_100015343762 [0,3,0,0,0,0|1,0,0]=4 5179 B12R1.4 COC1CCC(CC1)NC(=O)C 1626a_100015205214_100015343762 [0,3,0,0,0,0|1,0,0]=4 5180 B12R1.4 COC1CCC(CC1)NC(=O)C 240690a_100015205214_100015343762 [0,3,0,0,0,0|1,0,0]=4 5181 B12R1.4 COC1CCC(CC1)NC(=O)C 34a_100000161027_200000210301 [0,3,0,0,0,0|1,0,0]=4 5182 B12R1.4 COC1CCC(CC1)NC(=O)C 527a_100015205214_100103153847 [0,3,0,0,0,0|1,0,0]=4 5183 B12R1.4 COC1CCC(CC1)NC(=O)C 7a_100000161027_200000210301 [0,3,0,0,0,0|1,0,0]=4 5184 B12R1.20 CC(=O)N(C)[C@H]1CC[C@H](CC1)O 11a_100020636401_100015343762 [0,3,0,0,0,0|1,0,0]=4 5185 B12R1.20 CC(=O)N(C)[C@H]1CC[C@H](CC1)O 1626a_100020636401_100015343762 [0,3,0,0,0,0|1,0,0]=4 5186 B12R1.20 CC(=O)N(C)[C@H]1CC[C@H](CC1)O 240690a_100020636401_100015343762 [0,3,0,0,0,0|1,0,0]=4 5187 B12R1.20 CC(=O)N(C)[C@H]1CC[C@H](CC1)O 527a_100020636401_100103153847 [0,3,0,0,0,0|1,0,0]=4 5188 B12R1.1819 CC(=O)CC1CCC(CC1)(F)F 1458a_100000070787_100012361406 [0,3,0,0,0,0|1,0,0]=4 5189 B12R1.1819 CC(=O)CC1CCC(CC1)(F)F 1458a_100000101020_200000210301 [0,3,0,0,0,0|1,0,0]=4 5190 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 11a_100000757809_100015343762 [0,3,0,0,0,0|1,0,0]=4 5191 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 1626a_100000757809_100015343762 [0,3,0,0,0,0|1,0,0]=4 5192 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 240690a_100000757809_100015343762 [0,3,0,0,0,0|1,0,0]=4 5193 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 527a_100000757809_100103153847 [0,3,0,0,0,0|1,0,0]=4 5194 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F 11a_100000694335_100015343762 [0,3,0,0,0,0|1,0,0]=4 5195 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F 1626a_100000694335_100015343762 [0,3,0,0,0,0|1,0,0]=4 5196 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F 240690a_100000694335_100015343762 [0,3,0,0,0,0|1,0,0]=4 5197 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F 527a_100000694335_100103153847 [0,3,0,0,0,0|1,0,0]=4 5198 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 11a_202125554758_100015343762 [0,3,0,0,0,0|1,0,0]=4 5199 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 1626a_202125554758_100015343762 [0,3,0,0,0,0|1,0,0]=4 5200 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 240690a_202125554758_100015343762 [0,3,0,0,0,0|1,0,0]=4 5201 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 527a_202125554758_100103153847 [0,3,0,0,0,0|1,0,0]=4 5202 B12R1.1819 [13CH3]C(=O)CC1CCC(CC1)(F)F 1458a_100000101020_200025704644 [0,3,0,0,0,0|1,0,0]=4 5203 B12R1.25 C=CCOC1CCCC(C1C)C 34a_100011217532_100015514636 [0,3,0,0,0,0|1,0,0]=4 5204 B12R1.25 C=CCOC1CCCC(C1C)C 7a_100011217532_100015514636 [0,3,0,0,0,0|1,0,0]=4 5205 B12R1.25 CC1CCCC(C1C)NCC=O 2230a_100000211273_200015260668 [0,3,0,0,0,0|1,0,0]=4 5206 B12R1.25 CC1CCCC(C1C)NCC=O 34a_100000211273_200009817547 [0,3,0,0,0,0|1,0,0]=4 5207 B12R1.25 CC1CCCC(C1C)OCC=O 34a_100011217532_200009817547 [0,3,0,0,0,0|0,0,0]=3 5208 B12R1.25 CC1CCCC(C1C)OCC=O 7a_100011217532_200015260668 [0,3,0,0,0,0|0,0,0]=3 5209 B12R1.224 CC(=O)NC1CCCC(C1C)C 11a_100000211273_100015343762 [0,3,0,0,0,0|1,0,0]=4 5210 B12R1.224 CC(=O)NC1CCCC(C1C)C 1626a_100000211273_100015343762 [0,3,0,0,0,0|1,0,0]=4 5211 B12R1.224 CC(=O)NC1CCCC(C1C)C 240690a_100000211273_100015343762 [0,3,0,0,0,0|1,0,0]=4 5212 B12R1.224 CC(=O)NC1CCCC(C1C)C 527a_100000211273_100103153847 [0,3,0,0,0,0|1,0,0]=4 5213 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [0,3,0,0,0,0|1,0,0]=4 5214 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [0,3,0,0,0,0|1,0,0]=4 5215 B12R1.121 C=CCOC1CCCCC1CN 34a_100011216029_100015514636 [0,3,0,0,0,0|1,0,0]=4 5216 B12R1.121 C=CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100015514636 [0,3,0,0,0,0|1,0,0]=4 5217 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100015514636 [0,3,0,0,0,0|1,0,0]=4 5218 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100015514636 [0,3,0,0,0,0|1,0,0]=4 5219 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [0,3,0,0,0,0|0,0,0]=3 5220 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [0,3,0,0,0,0|0,0,0]=3 5221 B12R1.121 CN[C@@H]1CCCC[C@H]1OCC=O 34a_100000708425_200009817547 [0,3,0,0,0,0|0,0,0]=3 5222 B12R1.121 COC1CCCCC1NCC=O 34a_100011208099_200009817547 [0,3,0,0,0,0|1,0,0]=4 5223 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 34a_200009815850_200009817547 [0,3,0,0,0,0|0,0,0]=3 5224 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 7a_200009815850_200015260668 [0,3,0,0,0,0|0,0,0]=3 5225 B12R1.121 NCC1CCCCC1OCC=O 34a_100011216029_200009817547 [0,3,0,0,0,0|0,0,0]=3 5226 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,3,0,0,0,0|1,0,0]=4 5227 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,3,0,0,0,0|1,0,0]=4 5228 B12R1.125 C=C(C)COC1CCCCC1Cl 34a_100000038908_100000748629 [0,3,0,0,0,0|1,0,0]=4 5229 B12R1.125 C=C(C)COC1CCCCC1Cl 7a_100000038908_100000748629 [0,3,0,0,0,0|1,0,0]=4 5230 B12R1.125 C=C(C)COC1CCCCC1F 34a_100000210245_100015423560 [0,3,0,0,0,0|1,0,0]=4 5231 B12R1.125 C=C(C)COC1CCCCC1O 34a_100000210245_100000038908 [0,3,0,0,0,0|1,0,0]=4 5232 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000748629 [0,3,0,0,0,0|1,0,0]=4 5233 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000748629 [0,3,0,0,0,0|1,0,0]=4 5234 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000748629 [0,3,0,0,0,0|1,0,0]=4 5235 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,3,0,0,0,0|1,0,0]=4 5236 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,3,0,0,0,0|1,0,0]=4 5237 B12R1.125 C=C(F)COC1CCCCC1Cl 34a_100000038908_100009893438 [0,3,0,0,0,0|1,0,0]=4 5238 B12R1.125 C=C(F)COC1CCCCC1Cl 7a_100000038908_100000042424 [0,3,0,0,0,0|1,0,0]=4 5239 B12R1.125 C=C(F)COC1CCCCC1F 34a_200010262243_100015423560 [0,3,0,0,0,0|1,0,0]=4 5240 B12R1.125 C=C(F)COC1CCCCC1O 34a_200010262243_100000038908 [0,3,0,0,0,0|1,0,0]=4 5241 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009893438 [0,3,0,0,0,0|1,0,0]=4 5242 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000042424 [0,3,0,0,0,0|1,0,0]=4 5243 B12R1.125 C=C(F)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100009893438 [0,3,0,0,0,0|1,0,0]=4 5244 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,3,0,0,0,0|0,0,1]=4 5245 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,3,0,0,0,0|0,0,0]=3 5246 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,3,0,0,0,0|0,0,0]=3 5247 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,3,0,0,0,0|0,0,0]=3 5248 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,3,0,0,0,0|1,0,0]=4 5249 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,3,0,0,0,0|1,0,0]=4 5250 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,3,0,0,0,0|1,0,0]=4 5251 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,3,0,0,0,0|1,0,0]=4 5252 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,3,0,0,0,0|1,0,0]=4 5253 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,3,0,0,0,0|1,0,0]=4 5254 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,3,0,0,0,0|1,0,0]=4 5255 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,3,0,0,0,0|0,0,0]=3 5256 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,3,0,0,0,0|0,0,0]=3 5257 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,3,0,0,0,0|0,0,0]=3 5258 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,3,0,0,0,0|0,0,0]=3 5259 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,3,0,0,0,0|0,0,1]=4 5260 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,3,0,0,0,0|1,0,0]=4 5261 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,3,0,0,0,0|1,0,0]=4 5262 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,3,0,0,0,0|1,0,0]=4 5263 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,3,0,0,0,0|1,0,0]=4 5264 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [0,3,0,0,0,0|1,0,0]=4 5265 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [0,3,0,0,0,0|1,0,0]=4 5266 B12R1.125 NC(=O)COC1CCCCC1=O 34a_100011214950_100000187820 [0,3,0,0,0,0|0,0,1]=4 5267 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,3,0,0,0,0|0,0,0]=3 5268 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,3,0,0,0,0|0,0,0]=3 5269 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,3,0,0,0,0|0,0,0]=3 5270 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,3,0,0,0,0|0,0,0]=3 5271 B12R1.125 NC(=O)CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000187820 [0,3,0,0,0,0|1,0,0]=4 5272 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,3,0,0,0,0|0,0,0]=3 5273 B12R1.125 NC(=O)CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000187820 [0,3,0,0,0,0|1,0,0]=4 5274 B12R1.125 NC(=O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000187820 [0,3,0,0,0,0|1,0,0]=4 5275 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [0,3,0,0,0,0|0,1,0]=4 5276 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [0,3,0,0,0,0|0,1,0]=4 5277 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [0,3,0,0,0,0|0,1,0]=4 5278 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [0,3,0,0,0,0|0,1,0]=4 5279 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,3,0,0,0,0|0,0,0]=3 5280 B12R1.125 N[C@@H]1CCCC[C@@H]1OC[N+](=O)[O-] 34a_100015191688_100000761209 [0,3,0,0,0,0|0,0,1]=4 5281 B12R1.125 N[C@@H]1CCOC[C@@H]1OCC(=O)[O-] 34a_100016994285_100020667443 [0,3,0,0,0,0|1,0,0]=4 5282 B12R1.125 N[C@H]1COCC[C@@H]1OCC(=O)[O-] 34a_100015739063_100020667443 [0,3,0,0,0,0|1,0,0]=4 5283 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,3,0,0,0,0|1,0,0]=4 5284 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,3,0,0,0,0|1,0,0]=4 5285 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [0,3,0,0,0,0|1,0,0]=4 5286 B12R1.125 O=C([O-])COC1CCCCC1=O 34a_100011214950_100020667443 [0,3,0,0,0,0|0,0,1]=4 5287 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,3,0,0,0,0|0,0,0]=3 5288 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,3,0,0,0,0|0,0,0]=3 5289 B12R1.125 O=C([O-])CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100020667443 [0,3,0,0,0,0|1,0,0]=4 5290 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [0,3,0,0,0,0|0,1,0]=4 5291 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [0,3,0,0,0,0|0,1,0]=4 5292 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [0,3,0,0,0,0|0,1,0]=4 5293 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [0,3,0,0,0,0|0,1,0]=4 5294 B12R1.125 O=[N+]([O-])COC1CCCCC1Cl 34a_100000038908_100000761209 [0,3,0,0,0,0|0,0,1]=4 5295 B12R1.125 O=[N+]([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000761209 [0,3,0,0,0,0|0,0,1]=4 5296 B12R1.267 C/C=C/COC1CCCCC1C 34a_100000211207_100102629194 [0,3,0,0,0,0|1,0,0]=4 5297 B12R1.267 C/C=C/COC1CCCCC1C 7a_100000211207_100102629194 [0,3,0,0,0,0|1,0,0]=4 5298 B12R1.267 C/C=C/COC1CCCCC1Cl 34a_100000038908_100102629194 [0,3,0,0,0,0|1,0,0]=4 5299 B12R1.267 C/C=C/COC1CCCCC1Cl 7a_100000038908_100102629194 [0,3,0,0,0,0|1,0,0]=4 5300 B12R1.267 C/C=C/COC1CCCCC1F 34a_100016270725_100015423560 [0,3,0,0,0,0|1,0,0]=4 5301 B12R1.267 C/C=C/COC1CCCCC1O 34a_100016270725_100000038908 [0,3,0,0,0,0|1,0,0]=4 5302 B12R1.267 C/C=C/CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100102629194 [0,3,0,0,0,0|1,0,0]=4 5303 B12R1.267 C/C=C/CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100102629194 [0,3,0,0,0,0|1,0,0]=4 5304 B12R1.267 C/C=C/CO[C@H]1CCCC[C@H]1N 34a_100015191688_100102629194 [0,3,0,0,0,0|1,0,0]=4 5305 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [0,3,0,0,0,0|1,0,0]=4 5306 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [0,3,0,0,0,0|1,0,0]=4 5307 B12R1.267 C=CCCOC1CCCCC1Cl 34a_100000038908_100000754431 [0,3,0,0,0,0|1,0,0]=4 5308 B12R1.267 C=CCCOC1CCCCC1Cl 7a_100000038908_100000754431 [0,3,0,0,0,0|1,0,0]=4 5309 B12R1.267 C=CCCOC1CCCCC1F 34a_100011205117_100015423560 [0,3,0,0,0,0|1,0,0]=4 5310 B12R1.267 C=CCCOC1CCCCC1O 34a_100011205117_100000038908 [0,3,0,0,0,0|1,0,0]=4 5311 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000754431 [0,3,0,0,0,0|1,0,0]=4 5312 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000754431 [0,3,0,0,0,0|1,0,0]=4 5313 B12R1.267 C=CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000754431 [0,3,0,0,0,0|1,0,0]=4 5314 B12R1.267 CC=CCOC1CCCCC1C 34a_100000211207_100000070051 [0,3,0,0,0,0|1,0,0]=4 5315 B12R1.267 CC=CCOC1CCCCC1C 7a_100000211207_100000070051 [0,3,0,0,0,0|1,0,0]=4 5316 B12R1.267 CC=CCOC1CCCCC1Cl 34a_100000038908_100000070051 [0,3,0,0,0,0|1,0,0]=4 5317 B12R1.267 CC=CCOC1CCCCC1Cl 7a_100000038908_100000070051 [0,3,0,0,0,0|1,0,0]=4 5318 B12R1.267 CC=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000070051 [0,3,0,0,0,0|1,0,0]=4 5319 B12R1.267 CC=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000070051 [0,3,0,0,0,0|1,0,0]=4 5320 B12R1.267 CC=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000070051 [0,3,0,0,0,0|1,0,0]=4 5321 B12R1.267 CN1CCCCC1COCC=O 34a_100000225079_200009817547 [0,3,0,0,0,0|1,0,0]=4 5322 B12R1.267 NC1CCOCC1COCC=O 34a_214813039666_200009817547 [0,3,0,0,0,0|1,0,0]=4 5323 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [0,3,0,0,0,0|1,0,0]=4 5324 B12R1.267 O=CCOCC1CCCCC1=O 34a_100009861125_200009817547 [0,3,0,0,0,0|0,0,1]=4 5325 B12R1.267 O=CCOCC1CCCCC1=O 7a_100009861125_200015260668 [0,3,0,0,0,0|0,0,1]=4 5326 B12R1.308 CN(CC=O)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200015260668 [0,3,0,0,0,0|1,0,0]=4 5327 B12R1.371 C=CC(=O)NC1CCCCC1C 1626a_100000211402_100000185746 [0,3,0,0,0,0|1,0,0]=4 5328 B12R1.371 C=CC(=O)NC1CCCCC1C 240690a_100000211402_200121576911 [0,3,0,0,0,0|1,0,0]=4 5329 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_200121576911 [0,3,0,0,0,0|1,0,0]=4 5330 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000185746 [0,3,0,0,0,0|1,0,0]=4 5331 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_200121576911 [0,3,0,0,0,0|1,0,0]=4 5332 B12R1.371 C=CC(C)OC1CCCCC1F 34a_100000695699_100015423560 [0,3,0,0,0,0|1,0,0]=4 5333 B12R1.371 C=CC(C)OC1CCCCC1O 34a_100000695699_100000038908 [0,3,0,0,0,0|1,0,0]=4 5334 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,3,0,0,0,0|1,0,0]=4 5335 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,3,0,0,0,0|1,0,0]=4 5336 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,3,0,0,0,0|1,0,0]=4 5337 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,3,0,0,0,0|1,0,0]=4 5338 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,3,0,0,0,0|1,0,0]=4 5339 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,3,0,0,0,0|1,0,0]=4 5340 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210414 [0,3,0,0,0,0|1,0,0]=4 5341 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210414 [0,3,0,0,0,0|1,0,0]=4 5342 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000210414 [0,3,0,0,0,0|1,0,0]=4 5343 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000210414 [0,3,0,0,0,0|1,0,0]=4 5344 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210414 [0,3,0,0,0,0|1,0,0]=4 5345 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210414 [0,3,0,0,0,0|1,0,0]=4 5346 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,3,0,0,0,0|1,0,0]=4 5347 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,3,0,0,0,0|1,0,0]=4 5348 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,3,0,0,0,0|1,0,0]=4 5349 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,3,0,0,0,0|1,0,0]=4 5350 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,3,0,0,0,0|1,0,0]=4 5351 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,3,0,0,0,0|1,0,0]=4 5352 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100102657272_100015191688 [0,3,0,0,0,0|1,0,0]=4 5353 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100102657272_100015191688 [0,3,0,0,0,0|1,0,0]=4 5354 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_106832991635 [0,3,0,0,0,0|1,0,0]=4 5355 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100102657272_100015195156 [0,3,0,0,0,0|1,0,0]=4 5356 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100102657272 [0,3,0,0,0,0|1,0,0]=4 5357 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100102657272_100015195156 [0,3,0,0,0,0|1,0,0]=4 5358 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100102657272 [0,3,0,0,0,0|1,0,0]=4 5359 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_106832991638_100015195156 [0,3,0,0,0,0|1,0,0]=4 5360 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210174 [0,3,0,0,0,0|1,0,0]=4 5361 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210174 [0,3,0,0,0,0|1,0,0]=4 5362 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210174 [0,3,0,0,0,0|1,0,0]=4 5363 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210174 [0,3,0,0,0,0|1,0,0]=4 5364 B12R1.374 C=CCOC1CC(CCC1C)C 34a_100011217446_100015514636 [0,3,0,0,0,0|1,0,0]=4 5365 B12R1.374 C=CCOC1CC(CCC1C)C 7a_100011217446_100015514636 [0,3,0,0,0,0|1,0,0]=4 5366 B12R1.374 CC1CCC(C(C1)OCC=O)C 34a_100011217446_200009817547 [0,3,0,0,0,0|0,0,0]=3 5367 B12R1.374 CC1CCC(C(C1)OCC=O)C 7a_100011217446_200015260668 [0,3,0,0,0,0|0,0,0]=3 5368 B12R1.384 C=CCOC1CCCCC1(F)F 34a_200000210373_200009832135 [0,3,0,0,0,0|1,0,0]=4 5369 B12R1.384 CC1(CNCCC1OCC=O)C 34a_100000709803_200009817547 [0,3,0,0,0,0|1,0,0]=4 5370 B12R1.384 O=CCNC1CCCCC1(F)F 2230a_100000686509_200015260668 [0,3,0,0,0,0|1,0,0]=4 5371 B12R1.384 O=CCNC1CCCCC1(F)F 34a_100000686509_200009817547 [0,3,0,0,0,0|1,0,0]=4 5372 B12R1.384 O=CCSC1CCCCC1(F)F 62a_200009832135_200015260668 [0,3,0,0,0,0|0,1,0]=4 5373 B12R1.384 O=CCSC1CCCCC1(F)F 62a_200015260668_200009832135 [0,3,0,0,0,0|0,1,0]=4 5374 B12R1.1631 C=CCOC1C(CCCC1C)C 34a_100011218088_100015514636 [0,3,0,0,0,0|1,0,0]=4 5375 B12R1.1631 C=CCOC1C(CCCC1C)C 7a_100011218088_100015514636 [0,3,0,0,0,0|1,0,0]=4 5376 B12R1.1631 CC1CCCC(C1OCC=O)C 34a_100011218088_200009817547 [0,3,0,0,0,0|0,0,0]=3 5377 B12R1.1631 CC1CCCC(C1OCC=O)C 7a_100011218088_200015260668 [0,3,0,0,0,0|0,0,0]=3 5378 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,3,0,0,0,0|1,0,0]=4 5379 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,3,0,0,0,0|1,0,0]=4 5380 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,3,0,0,0,0|1,0,0]=4 5381 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,3,0,0,0,0|1,0,0]=4 5382 B12R1.124 CC(=O)N(C)[C@@H]1CCCC[C@H]1O 240690a_100000708425_100015343762 [0,3,0,0,0,0|1,0,0]=4 5383 B12R1.391 CC(=O)NC1CCCCC1(F)F 11a_100000686509_100015343762 [0,3,0,0,0,0|1,0,0]=4 5384 B12R1.391 CC(=O)NC1CCCCC1(F)F 1626a_100000686509_100015343762 [0,3,0,0,0,0|1,0,0]=4 5385 B12R1.391 CC(=O)NC1CCCCC1(F)F 240690a_100000686509_100015343762 [0,3,0,0,0,0|1,0,0]=4 5386 B12R1.391 CC(=O)NC1CCCCC1(F)F 527a_100000686509_100103153847 [0,3,0,0,0,0|1,0,0]=4 5387 B12R1.28 C/C=C/COC1CCCC(C1)C 34a_100000211399_100102629194 [0,3,0,0,0,0|1,0,0]=4 5388 B12R1.28 C=CCCOC1CCCC(C1)C 34a_100000211399_100000754431 [0,3,0,0,0,0|1,0,0]=4 5389 B12R1.28 CC1CNCC(C1)COCC=O 34a_200012821172_200009817547 [0,3,0,0,0,0|1,0,0]=4 5390 B12R1.28 CC=CCOC1CCCC(C1)C 34a_100000211399_100000070051 [0,3,0,0,0,0|1,0,0]=4 5391 B12R1.28 O=CCNCC1CCCC(C1)O 2230a_100011254705_200015260668 [0,3,0,0,0,0|1,0,0]=4 5392 B12R1.50 C=CC(=O)NC1CCCC(C1)C 1626a_100011194320_100000185746 [0,3,0,0,0,0|1,0,0]=4 5393 B12R1.50 C=CC(=O)NC1CCCC(C1)C 240690a_100011194320_200121576911 [0,3,0,0,0,0|1,0,0]=4 5394 B12R1.50 C=CC(=O)NC1CCCC(C1)O 1626a_100015190357_100000185746 [0,3,0,0,0,0|1,0,0]=4 5395 B12R1.50 C=CC(=O)NC1CCCC(C1)O 240690a_100015190357_200121576911 [0,3,0,0,0,0|1,0,0]=4 5396 B12R1.50 CC1CCCC(C1)CC(=O)CF 1458a_100000748788_100015361967 [0,3,0,0,0,0|1,0,0]=4 5397 B12R1.50 CC1CCCC(C1)NC(=O)CO 240690a_100011194320_100000210174 [0,3,0,0,0,0|1,0,0]=4 5398 B12R1.50 CC1CCCC(C1)NC(=O)CO 527a_100011194320_100000210174 [0,3,0,0,0,0|1,0,0]=4 5399 B12R1.50 CCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210202 [0,3,0,0,0,0|1,0,0]=4 5400 B12R1.50 CCC(=O)NC1CCCC(C1)C 11a_100011194320_100000210414 [0,3,0,0,0,0|1,0,0]=4 5401 B12R1.50 CCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000210414 [0,3,0,0,0,0|1,0,0]=4 5402 B12R1.50 CCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000210414 [0,3,0,0,0,0|1,0,0]=4 5403 B12R1.50 CCC(=O)NC1CCCC(C1)C 527a_100011194320_100000210414 [0,3,0,0,0,0|1,0,0]=4 5404 B12R1.50 CCC(=O)NC1CCCC(C1)O 1626a_100015190357_100000210414 [0,3,0,0,0,0|1,0,0]=4 5405 B12R1.50 CCC(=O)NC1CCCC(C1)O 240690a_100015190357_100000210414 [0,3,0,0,0,0|1,0,0]=4 5406 B12R1.50 CNC(=O)CC1CCCC(C1)C 11a_106832991635_100000748788 [0,3,0,0,0,0|1,0,0]=4 5407 B12R1.50 CNC(=O)CC1CCCC(C1)C 1626a_100102657272_100000748788 [0,3,0,0,0,0|1,0,0]=4 5408 B12R1.50 CNC(=O)CC1CCCC(C1)C 240690a_100102657272_100000748788 [0,3,0,0,0,0|1,0,0]=4 5409 B12R1.50 CNC(=O)CC1CCCC(C1)C 527a_100102657272_100000748788 [0,3,0,0,0,0|1,0,0]=4 5410 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100011194320_106832991635 [0,3,0,0,0,0|1,0,0]=4 5411 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100102657272_100011194320 [0,3,0,0,0,0|1,0,0]=4 5412 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100011194320_100102657272 [0,3,0,0,0,0|1,0,0]=4 5413 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100102657272_100011194320 [0,3,0,0,0,0|1,0,0]=4 5414 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_100011194320_100102657272 [0,3,0,0,0,0|1,0,0]=4 5415 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_106832991638_100011194320 [0,3,0,0,0,0|1,0,0]=4 5416 B12R1.50 CNC(=O)NC1CCCC(C1)O 2708a_100102657272_100015190357 [0,3,0,0,0,0|1,0,0]=4 5417 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100015190357_100102657272 [0,3,0,0,0,0|1,0,0]=4 5418 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100102657272_100015190357 [0,3,0,0,0,0|1,0,0]=4 5419 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_100015190357_100102657272 [0,3,0,0,0,0|1,0,0]=4 5420 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_106832991638_100015190357 [0,3,0,0,0,0|1,0,0]=4 5421 B12R1.50 O=C(CO)NC1CCCC(C1)O 240690a_100015190357_100000210174 [0,3,0,0,0,0|1,0,0]=4 5422 B12R1.100 CC1CC(CC(O1)C)OCC=O 34a_200000691454_200009817547 [0,3,0,0,0,0|1,0,0]=4 5423 B12R1.100 CC1CC(CC(O1)C)OCC=O 7a_200000691454_200015260668 [0,3,0,0,0,0|1,0,0]=4 5424 B12R1.226 C=C(C)COC1CCCC(C1)C 34a_100000211399_100000748629 [0,3,0,0,0,0|1,0,0]=4 5425 B12R1.226 C=C(F)COC1CCCC(C1)C 34a_100000211399_100009893438 [0,3,0,0,0,0|1,0,0]=4 5426 B12R1.226 CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100015343762 [0,3,0,0,0,0|1,0,0]=4 5427 B12R1.226 CC(=O)NCC1CCCC(C1)O 240690a_100011254705_100015343762 [0,3,0,0,0,0|1,0,0]=4 5428 B12R1.226 CC(=O)NCC1CCCC(C1)O 527a_100011254705_100103153847 [0,3,0,0,0,0|1,0,0]=4 5429 B12R1.226 CC(=O)OCC1CCCN(C1)C 2230a_100025751563_200000210301 [0,3,0,0,0,0|1,0,0]=4 5430 B12R1.226 CC(=O)OCC1CCCN(C1)C 269982a_100025751563_200000210301 [0,3,0,0,0,0|1,0,0]=4 5431 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 2230a_100025751563_200025704644 [0,3,0,0,0,0|1,0,0]=4 5432 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 269982a_100025751563_200025704644 [0,3,0,0,0,0|1,0,0]=4 5433 B12R1.226 CC(=O)OCN1CCCC(C1)F 269982a_100000697950_100000076356 [0,3,0,0,0,0|1,0,0]=4 5434 B12R1.226 CC(=O)OCN1CCCC(C1)F 34a_100000697950_100009813279 [0,3,0,0,0,0|1,0,0]=4 5435 B12R1.226 CC(=O)OCN1CCCC(C1)O 269982a_100000211013_100000076356 [0,3,0,0,0,0|1,0,0]=4 5436 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 269982a_100000717927_100000076356 [0,3,0,0,0,0|1,0,0]=4 5437 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 34a_100000717927_100009813279 [0,3,0,0,0,0|1,0,0]=4 5438 B12R1.226 CC1CC(CCO1)OCC(=O)N 34a_100011986385_100000187820 [0,3,0,0,0,0|1,0,0]=4 5439 B12R1.226 CC1CC(CCO1)OCC(=O)N 7a_100011986385_100000187820 [0,3,0,0,0,0|1,0,0]=4 5440 B12R1.226 CC1CC(CCO1)OCC(=O)[O-] 34a_100011986385_100020667443 [0,3,0,0,0,0|1,0,0]=4 5441 B12R1.226 CC1CCCC(C1)NCC(=O)N 2230a_100011194320_100000747473 [0,3,0,0,0,0|1,0,0]=4 5442 B12R1.226 CC1CCCC(C1)NCC(=O)N 34a_100011194320_100000187820 [0,3,0,0,0,0|1,0,0]=4 5443 B12R1.226 CC1CCCC(C1)NCC(=O)[O-] 34a_100011194320_100020667443 [0,3,0,0,0,0|1,0,0]=4 5444 B12R1.226 CC1CCCC(C1)OCC(=O)N 34a_100000211399_100000187820 [0,3,0,0,0,0|0,0,0]=3 5445 B12R1.226 CC1CCCC(C1)OCC(=O)[O-] 34a_100000211399_100020667443 [0,3,0,0,0,0|0,0,0]=3 5446 B12R1.226 CC1CCCC(C1)OC[N+](=O)[O-] 34a_100000211399_100000761209 [0,3,0,0,0,0|0,0,1]=4 5447 B12R1.226 NC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000747473 [0,3,0,0,0,0|1,0,0]=4 5448 B12R1.226 NC(=O)COC1CCCC(=O)C1 34a_100012613340_100000187820 [0,3,0,0,0,0|0,0,1]=4 5449 B12R1.226 O=C([O-])COC1CCCC(=O)C1 34a_100012613340_100020667443 [0,3,0,0,0,0|0,0,1]=4 5450 B12R1.382 C=CCOC1CCCC(C1)CC 7a_100011985506_100015514636 [0,3,0,0,0,0|1,0,0]=4 5451 B12R1.382 C=CCOC1CCCC(C1)CN 34a_100011254705_100015514636 [0,3,0,0,0,0|1,0,0]=4 5452 B12R1.382 CCC1CCCC(C1)OCC=O 7a_100011985506_200015260668 [0,3,0,0,0,0|0,0,0]=3 5453 B12R1.382 NCC1CCCC(C1)OCC=O 34a_100011254705_200009817547 [0,3,0,0,0,0|0,0,0]=3 5454 B12R1.887 C=CCOC1CCCC(C1)(C)C 7a_100011995757_100015514636 [0,3,0,0,0,0|1,0,0]=4 5455 B12R1.887 CC1(CC(CCO1)OCC=O)C 34a_100000693217_200009817547 [0,3,0,0,0,0|1,0,0]=4 5456 B12R1.887 CC1(CC(CCO1)OCC=O)C 7a_100000693217_200015260668 [0,3,0,0,0,0|1,0,0]=4 5457 B12R1.887 CC1(CCCC(C1)OCC=O)C 7a_100011995757_200015260668 [0,3,0,0,0,0|0,0,0]=3 5458 B12R1.3 CCN(CC=O)C1CCCCC1 2230a_100000201195_200015260668 [0,3,0,0,0,0|1,0,0]=4 5459 B12R1.3 CCN(CC=O)C1CCCCC1 269982a_100000201195_200015260668 [0,3,0,0,0,0|1,0,0]=4 5460 B12R1.3 CCN(CC=O)C1CCCCC1 34a_100000201195_200009817547 [0,3,0,0,0,0|1,0,0]=4 5461 B12R1.478 CCN(C(=O)C)C1CCCCC1 11a_100000201195_100015343762 [0,3,0,0,0,0|1,0,0]=4 5462 B12R1.478 CCN(C(=O)C)C1CCCCC1 1626a_100000201195_100015343762 [0,3,0,0,0,0|1,0,0]=4 5463 B12R1.478 CCN(C(=O)C)C1CCCCC1 240690a_100000201195_100015343762 [0,3,0,0,0,0|1,0,0]=4 5464 B12R1.478 CCN(C(=O)C)C1CCCCC1 527a_100000201195_100103153847 [0,3,0,0,0,0|1,0,0]=4 5465 B12R1.478 CNC(C(=O)O)C1CCCCC1 269956a_100000742913_200000210301 [0,3,0,0,0,0|1,0,0]=4 5466 B12R1.478 [13CH3]NC(C(=O)O)C1CCCCC1 269956a_100000742913_200025704644 [0,3,0,0,0,0|1,0,0]=4 5467 B12R1.30 C=CCOC(C)C1CCCCC1 34a_100011216961_100015514636 [0,3,0,0,0,0|1,0,0]=4 5468 B12R1.30 C=CCOC(C)C1CCCCC1 7a_100011216961_100015514636 [0,3,0,0,0,0|1,0,0]=4 5469 B12R1.30 CC(OCC=O)C1CCCCC1 34a_100011216961_200009817547 [0,3,0,0,0,0|0,0,0]=3 5470 B12R1.30 CC(OCC=O)C1CCCCC1 7a_100011216961_200015260668 [0,3,0,0,0,0|0,0,0]=3 5471 B12R1.30 CC(OCC=O)C1CCCNC1 34a_100000740858_200009817547 [0,3,0,0,0,0|1,0,0]=4 5472 B12R1.30 CC(OCC=O)C1CCNCC1 34a_100011728446_200009817547 [0,3,0,0,0,0|1,0,0]=4 5473 B12R1.30 C[C@@H](NCC=O)C1CCCCC1 2230a_100025707633_200015260668 [0,3,0,0,0,0|1,0,0]=4 5474 B12R1.30 C[C@@H](NCC=O)C1CCCCC1 34a_100025707633_200009817547 [0,3,0,0,0,0|1,0,0]=4 5475 B12R1.30 C[C@@H](OCC=O)C1CCOCC1 34a_100000703848_200009817547 [0,3,0,0,0,0|1,0,0]=4 5476 B12R1.30 C[C@@H](OCC=O)C1CCOCC1 7a_100000703848_200015260668 [0,3,0,0,0,0|1,0,0]=4 5477 B12R1.34 C=CC(=O)N(C)C1CCCCC1 1626a_100000207522_100000185746 [0,3,0,0,0,0|1,0,0]=4 5478 B12R1.34 C=CC(=O)N(C)C1CCCCC1 240690a_100000207522_200121576911 [0,3,0,0,0,0|1,0,0]=4 5479 B12R1.34 CC(C(=O)CF)C1CCCCC1 1458a_100011435303_100015361967 [0,3,0,0,0,0|1,0,0]=4 5480 B12R1.34 CCC(=O)C(C)C1CCCCC1 1458a_100011435303_100000210202 [0,3,0,0,0,0|1,0,0]=4 5481 B12R1.34 CCC(=O)C(O)C1CCCCC1 1458a_100000242593_100000210202 [0,3,0,0,0,0|1,0,0]=4 5482 B12R1.34 CCC(=O)N(C)C1CCCCC1 11a_100000207522_100000210414 [0,3,0,0,0,0|1,0,0]=4 5483 B12R1.34 CCC(=O)N(C)C1CCCCC1 1626a_100000207522_100000210414 [0,3,0,0,0,0|1,0,0]=4 5484 B12R1.34 CCC(=O)N(C)C1CCCCC1 240690a_100000207522_100000210414 [0,3,0,0,0,0|1,0,0]=4 5485 B12R1.34 CCC(=O)N(C)C1CCCCC1 527a_100000207522_100000210414 [0,3,0,0,0,0|1,0,0]=4 5486 B12R1.34 CN(C(=O)CO)C1CCCCC1 240690a_100000207522_100000210174 [0,3,0,0,0,0|1,0,0]=4 5487 B12R1.34 CN(C(=O)CO)C1CCCCC1 527a_100000207522_100000210174 [0,3,0,0,0,0|1,0,0]=4 5488 B12R1.34 CNC(=O)C(=O)C1CCCCC1 1458a_100011218921_100000210327 [0,3,0,0,0,0|1,0,0]=4 5489 B12R1.34 CNC(=O)C(C)C1CCCCC1 11a_106832991635_100011435303 [0,3,0,0,0,0|1,0,0]=4 5490 B12R1.34 CNC(=O)C(C)C1CCCCC1 1626a_100102657272_100011435303 [0,3,0,0,0,0|1,0,0]=4 5491 B12R1.34 CNC(=O)C(C)C1CCCCC1 240690a_100102657272_100011435303 [0,3,0,0,0,0|1,0,0]=4 5492 B12R1.34 CNC(=O)C(C)C1CCCCC1 527a_100102657272_100011435303 [0,3,0,0,0,0|1,0,0]=4 5493 B12R1.34 CNC(=O)C(O)C1CCCCC1 240690a_100102657272_100000242593 [0,3,0,0,0,0|1,0,0]=4 5494 B12R1.34 CNC(=O)N(C)C1CCCCC1 2708a_100102657272_100000207522 [0,3,0,0,0,0|1,0,0]=4 5495 B12R1.34 CNC(=O)N(C)C1CCCCC1 273464a_100102657272_100000207522 [0,3,0,0,0,0|1,0,0]=4 5496 B12R1.34 O=C(CF)C(O)C1CCCCC1 1458a_100000242593_100015361967 [0,3,0,0,0,0|1,0,0]=4 5497 B12R1.107 CC(=O)CC(=O)C1CCCCC1 1458a_100000070787_100000241979 [0,3,0,0,0,0|1,0,0]=4 5498 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100015343762 [0,3,0,0,0,0|1,0,0]=4 5499 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100015343762 [0,3,0,0,0,0|1,0,0]=4 5500 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100015343762 [0,3,0,0,0,0|1,0,0]=4 5501 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100103153847 [0,3,0,0,0,0|1,0,0]=4 5502 B12R1.107 CN(CC(=O)N)C1CCCCC1 2230a_100000207522_100000747473 [0,3,0,0,0,0|1,0,0]=4 5503 B12R1.107 CN(CC(=O)N)C1CCCCC1 269982a_100000207522_100000187820 [0,3,0,0,0,0|1,0,0]=4 5504 B12R1.107 CN(CC(=O)N)C1CCCCC1 270004a_100000739694_100000210434 [0,3,0,0,0,0|1,0,0]=4 5505 B12R1.107 CN(CC(=O)N)C1CCCCC1 34a_100000207522_100000187820 [0,3,0,0,0,0|1,0,0]=4 5506 B12R1.107 CN(CC(=O)O)C1CCCCC1 269956a_100000746989_100000210327 [0,3,0,0,0,0|1,0,0]=4 5507 B12R1.107 CN(CC(=O)[O-])C1CCCCC1 269982a_100000207522_100020667443 [0,3,0,0,0,0|1,0,0]=4 5508 B12R1.107 CN(CC(=O)[O-])C1CCCCC1 34a_100000207522_100020667443 [0,3,0,0,0,0|1,0,0]=4 5509 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000187820 [0,3,0,0,0,0|1,0,0]=4 5510 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100134613110_100000210327 [0,3,0,0,0,0|1,0,0]=4 5511 B12R1.107 O=C([O-])CC(=O)C1CCCCC1 1458a_100000210647_100020667443 [0,3,0,0,0,0|1,0,0]=4 5512 B12R1.8 C/C=C/CCOC1CCCCC1 34a_100016278192_100000210327 [0,3,0,0,0,0|1,0,0]=4 5513 B12R1.8 C/C=C/COCC1CCCCC1 34a_100000212181_100102629194 [0,3,0,0,0,0|1,0,0]=4 5514 B12R1.8 C/C=C/COCC1CCCCC1 34a_100016270725_100000211423 [0,3,0,0,0,0|1,0,0]=4 5515 B12R1.8 C/C=C/COCC1CCCCC1 7a_100000212181_100102629194 [0,3,0,0,0,0|1,0,0]=4 5516 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [0,3,0,0,0,0|1,0,0]=4 5517 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [0,3,0,0,0,0|1,0,0]=4 5518 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [0,3,0,0,0,0|1,0,0]=4 5519 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [0,3,0,0,0,0|1,0,0]=4 5520 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [0,3,0,0,0,0|1,0,0]=4 5521 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [0,3,0,0,0,0|1,0,0]=4 5522 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [0,3,0,0,0,0|1,0,0]=4 5523 B12R1.8 C=CCNCOC1CCCCC1 2230a_100020586998_100011935260 [0,3,0,0,0,0|1,0,0]=4 5524 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [0,3,0,0,0,0|1,0,0]=4 5525 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [0,3,0,0,0,0|1,0,0]=4 5526 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [0,3,0,0,0,0|1,0,0]=4 5527 B12R1.8 C=CCOCOC1CCCCC1 34a_200000210373_100011935260 [0,3,0,0,0,0|1,0,0]=4 5528 B12R1.8 C=CCSCOC1CCCCC1 62a_100000210623_100011935260 [0,3,0,0,0,0|1,0,0]=4 5529 B12R1.8 C=CCSCOC1CCCCC1 62a_100011935260_100000210623 [0,3,0,0,0,0|1,0,0]=4 5530 B12R1.8 C=COCCNC1CCCCC1 2230a_100000182618_100000039644 [0,3,0,0,0,0|1,0,0]=4 5531 B12R1.8 C=COCCNC1CCCCC1 34a_100000182618_100000039644 [0,3,0,0,0,0|1,0,0]=4 5532 B12R1.8 C=COCCOC1CCCCC1 34a_100000033082_100000210327 [0,3,0,0,0,0|1,0,0]=4 5533 B12R1.8 C=COCCOC1CCCCC1 34a_100000210231_100000039644 [0,3,0,0,0,0|1,0,0]=4 5534 B12R1.8 C=COCCOC1CCCCC1 7a_100000210231_100000039644 [0,3,0,0,0,0|1,0,0]=4 5535 B12R1.8 C=COCCSC1CCCCC1 62a_100000039644_100000210327 [0,3,0,0,0,0|1,0,0]=4 5536 B12R1.8 C=COCCSC1CCCCC1 62a_100000210327_100000039644 [0,3,0,0,0,0|1,0,0]=4 5537 B12R1.8 CC/C=C\COC1CCCCC1 34a_100000210231_100103147603 [0,3,0,0,0,0|1,0,0]=4 5538 B12R1.8 CC/C=C\COC1CCCCC1 34a_100016268518_100000210327 [0,3,0,0,0,0|1,0,0]=4 5539 B12R1.8 CC/C=C\COC1CCCCC1 7a_100000210231_100103147603 [0,3,0,0,0,0|1,0,0]=4 5540 B12R1.8 CC=CCOCC1CCCCC1 34a_100000212181_100000070051 [0,3,0,0,0,0|1,0,0]=4 5541 B12R1.8 CC=CCOCC1CCCCC1 7a_100000212181_100000070051 [0,3,0,0,0,0|1,0,0]=4 5542 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [0,3,0,0,0,0|1,0,0]=4 5543 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [0,3,0,0,0,0|0,0,0]=3 5544 B12R1.8 O=CCCCOC1CCCSC1 7a_100015962668_200011292268 [0,3,0,0,0,0|1,0,0]=4 5545 B12R1.8 O=CCCCOC1CCSCC1 7a_100000731022_200011292268 [0,3,0,0,0,0|1,0,0]=4 5546 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [0,3,0,0,0,0|0,1,0]=4 5547 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [0,3,0,0,0,0|0,1,0]=4 5548 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [0,3,0,0,0,0|1,0,0]=4 5549 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [0,3,0,0,0,0|1,0,0]=4 5550 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [0,3,0,0,0,0|0,0,0]=3 5551 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [0,3,0,0,0,0|0,0,0]=3 5552 B12R1.8 O=CCOCCC1CCCCN1 34a_100000211664_200009817547 [0,3,0,0,0,0|1,0,0]=4 5553 B12R1.8 O=CCOCCC1CCCNC1 34a_100000752241_200009817547 [0,3,0,0,0,0|1,0,0]=4 5554 B12R1.8 O=CCOCCC1CCNCC1 34a_100015190746_200009817547 [0,3,0,0,0,0|1,0,0]=4 5555 B12R1.8 O=CCOCCC1CCOCC1 34a_100011933979_200009817547 [0,3,0,0,0,0|1,0,0]=4 5556 B12R1.8 O=CCOCCC1CCOCC1 7a_100011933979_200015260668 [0,3,0,0,0,0|1,0,0]=4 5557 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [0,3,0,0,0,0|0,1,0]=4 5558 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [0,3,0,0,0,0|0,1,0]=4 5559 B12R1.8 O=CCSCOC1CCCCC1 62a_100011935260_200015260668 [0,3,0,0,0,0|0,0,0]=3 5560 B12R1.8 O=CCSCOC1CCCCC1 62a_200015260668_100011935260 [0,3,0,0,0,0|0,0,0]=3 5561 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [0,3,0,0,0,0|1,0,0]=4 5562 B12R1.27 C#CC(=O)COC1CCCCC1 1458a_100000211873_100011935260 [0,3,0,0,0,0|0,0,0]=3 5563 B12R1.27 C=C(C#N)COC1CCCCC1 34a_100000210231_100000694840 [0,3,0,0,0,0|1,0,0]=4 5564 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,3,0,0,0,0|1,0,0]=4 5565 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [0,3,0,0,0,0|0,0,0]=3 5566 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,3,0,0,0,0|1,0,0]=4 5567 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,3,0,0,0,0|1,0,0]=4 5568 B12R1.27 C=CC(=O)NNC1CCCCC1 22a_100000709804_100000185746 [0,3,0,0,0,0|1,0,0]=4 5569 B12R1.27 C=CC(C)COC1CCCCC1 34a_100011215527_100000210327 [0,3,0,0,0,0|1,0,0]=4 5570 B12R1.27 C=CC(C)COC1CCCCC1 7a_100011215527_100000210327 [0,3,0,0,0,0|1,0,0]=4 5571 B12R1.27 C=CC(C)OCC1CCCCC1 34a_100000695699_100000211423 [0,3,0,0,0,0|1,0,0]=4 5572 B12R1.27 C=CC(O)COC1CCCCC1 34a_100000210231_100000730141 [0,3,0,0,0,0|1,0,0]=4 5573 B12R1.27 C=CC(O)COC1CCCCC1 7a_100000210231_100000730141 [0,3,0,0,0,0|1,0,0]=4 5574 B12R1.27 C=C[C@H](N)COC1CCCCC1 34a_100016989147_100000210327 [0,3,0,0,0,0|1,0,0]=4 5575 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,3,0,0,0,0|1,0,0]=4 5576 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,3,0,0,0,0|1,0,0]=4 5577 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,3,0,0,0,0|1,0,0]=4 5578 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,3,0,0,0,0|0,0,0]=3 5579 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,3,0,0,0,0|0,0,0]=3 5580 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,3,0,0,0,0|0,0,0]=3 5581 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,3,0,0,0,0|0,0,0]=3 5582 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,3,0,0,0,0|1,0,0]=4 5583 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [0,3,0,0,0,0|1,0,0]=4 5584 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [0,3,0,0,0,0|1,0,0]=4 5585 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [0,3,0,0,0,0|1,0,0]=4 5586 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,3,0,0,0,0|0,1,0]=4 5587 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,3,0,0,0,0|0,1,0]=4 5588 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,3,0,0,0,0|1,0,0]=4 5589 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,3,0,0,0,0|1,0,0]=4 5590 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,3,0,0,0,0|1,0,0]=4 5591 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,3,0,0,0,0|1,0,0]=4 5592 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,3,0,0,0,0|1,0,0]=4 5593 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,3,0,0,0,0|1,0,0]=4 5594 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,3,0,0,0,0|1,0,0]=4 5595 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,3,0,0,0,0|1,0,0]=4 5596 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,3,0,0,0,0|1,0,0]=4 5597 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,3,0,0,0,0|1,0,0]=4 5598 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,3,0,0,0,0|1,0,0]=4 5599 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,3,0,0,0,0|1,0,0]=4 5600 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,3,0,0,0,0|1,0,0]=4 5601 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,3,0,0,0,0|1,0,0]=4 5602 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,3,0,0,0,0|1,0,0]=4 5603 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,3,0,0,0,0|0,0,0]=3 5604 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,3,0,0,0,0|0,0,0]=3 5605 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,3,0,0,0,0|0,0,0]=3 5606 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,3,0,0,0,0|0,0,0]=3 5607 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,3,0,0,0,0|0,0,0]=3 5608 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,3,0,0,0,0|0,0,0]=3 5609 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,3,0,0,0,0|0,0,0]=3 5610 B12R1.27 CNC(=O)COC1CCCCO1 34a_100000033831_100000183359 [0,3,0,0,0,0|1,0,0]=4 5611 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000750040_100000693364 [0,3,0,0,0,0|1,0,0]=4 5612 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000754041_100000183359 [0,3,0,0,0,0|1,0,0]=4 5613 B12R1.27 CNC(=O)COC1CCCSC1 7a_100015962668_100000183359 [0,3,0,0,0,0|1,0,0]=4 5614 B12R1.27 CNC(=O)COC1CCOCC1 34a_100000744328_100000183359 [0,3,0,0,0,0|1,0,0]=4 5615 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000731022_100000183359 [0,3,0,0,0,0|1,0,0]=4 5616 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000750040_100000069128 [0,3,0,0,0,0|1,0,0]=4 5617 B12R1.27 CNC(=O)COC1CCSCC1 7a_100000731022_100000183359 [0,3,0,0,0,0|1,0,0]=4 5618 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,3,0,0,0,0|0,1,0]=4 5619 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,3,0,0,0,0|0,1,0]=4 5620 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,3,0,0,0,0|1,0,0]=4 5621 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,3,0,0,0,0|1,0,0]=4 5622 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,3,0,0,0,0|1,0,0]=4 5623 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,3,0,0,0,0|1,0,0]=4 5624 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,3,0,0,0,0|1,0,0]=4 5625 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,3,0,0,0,0|1,0,0]=4 5626 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,3,0,0,0,0|1,0,0]=4 5627 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,3,0,0,0,0|1,0,0]=4 5628 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,3,0,0,0,0|0,0,0]=3 5629 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,3,0,0,0,0|0,0,0]=3 5630 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,3,0,0,0,0|1,0,0]=4 5631 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,3,0,0,0,0|1,0,0]=4 5632 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [0,3,0,0,0,0|1,0,0]=4 5633 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [0,3,0,0,0,0|1,0,0]=4 5634 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [0,3,0,0,0,0|1,0,0]=4 5635 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [0,3,0,0,0,0|1,0,0]=4 5636 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,3,0,0,0,0|0,1,0]=4 5637 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,3,0,0,0,0|0,1,0]=4 5638 B12R1.27 O=C(C=CC1CCCCC1)CF 1458a_100102566626_100015361967 [0,3,0,0,0,0|1,0,0]=4 5639 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,3,0,0,0,0|1,0,0]=4 5640 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,3,0,0,0,0|0,0,0]=3 5641 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,3,0,0,0,0|1,0,0]=4 5642 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,3,0,0,0,0|0,0,0]=3 5643 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,3,0,0,0,0|1,0,0]=4 5644 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,3,0,0,0,0|1,0,0]=4 5645 B12R1.27 O=C(CO)NNC1CCCCC1 22a_100000709804_100000210174 [0,3,0,0,0,0|1,0,0]=4 5646 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100000211666_100000184674 [0,3,0,0,0,0|1,0,0]=4 5647 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100011220946_100000211423 [0,3,0,0,0,0|1,0,0]=4 5648 B12R1.32 C#CCC(=O)NC1CCCCC1 1626a_100000182618_100011220946 [0,3,0,0,0,0|1,0,0]=4 5649 B12R1.32 C#CCC(=O)NC1CCCCC1 527a_100000182618_100011220946 [0,3,0,0,0,0|1,0,0]=4 5650 B12R1.32 C/C=C/C(C)OC1CCCCC1 34a_200102604097_100000210327 [0,3,0,0,0,0|1,0,0]=4 5651 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000210193_100000211423 [0,3,0,0,0,0|1,0,0]=4 5652 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000211666_100000210623 [0,3,0,0,0,0|1,0,0]=4 5653 B12R1.32 C=CCC(=O)NC1CCCCC1 11a_100000182618_100000210193 [0,3,0,0,0,0|1,0,0]=4 5654 B12R1.32 C=CCC(=O)NC1CCCCC1 1626a_100000182618_100000210193 [0,3,0,0,0,0|1,0,0]=4 5655 B12R1.32 C=CCC(=O)NC1CCCCC1 240690a_100000182618_100000210193 [0,3,0,0,0,0|1,0,0]=4 5656 B12R1.32 C=CCC(=O)NC1CCCCC1 527a_100000182618_100000210193 [0,3,0,0,0,0|1,0,0]=4 5657 B12R1.32 C=CC[C@@H](C)OC1CCCCC1 34a_100000731007_100000210327 [0,3,0,0,0,0|1,0,0]=4 5658 B12R1.32 C=CC[C@@H](C)OC1CCCCC1 7a_100000731007_100000210327 [0,3,0,0,0,0|1,0,0]=4 5659 B12R1.32 CC#CC(=O)CC1CCCCC1 1458a_100000763181_100000211423 [0,3,0,0,0,0|1,0,0]=4 5660 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [0,3,0,0,0,0|1,0,0]=4 5661 B12R1.32 CC=CC(=O)NC1CCCCC1 11a_100000182618_100000210699 [0,3,0,0,0,0|1,0,0]=4 5662 B12R1.32 CC=CC(=O)NC1CCCCC1 1626a_100000182618_100000210699 [0,3,0,0,0,0|1,0,0]=4 5663 B12R1.32 CC=CC(=O)NC1CCCCC1 240690a_100000182618_100000210699 [0,3,0,0,0,0|1,0,0]=4 5664 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,3,0,0,0,0|1,0,0]=4 5665 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,3,0,0,0,0|1,0,0]=4 5666 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [0,3,0,0,0,0|1,0,0]=4 5667 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [0,3,0,0,0,0|1,0,0]=4 5668 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [0,3,0,0,0,0|1,0,0]=4 5669 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [0,3,0,0,0,0|1,0,0]=4 5670 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,3,0,0,0,0|1,0,0]=4 5671 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,3,0,0,0,0|1,0,0]=4 5672 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,3,0,0,0,0|1,0,0]=4 5673 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [0,3,0,0,0,0|1,0,0]=4 5674 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [0,3,0,0,0,0|1,0,0]=4 5675 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [0,3,0,0,0,0|1,0,0]=4 5676 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [0,3,0,0,0,0|1,0,0]=4 5677 B12R1.32 CN(CC=O)CC1CCCCC1 2230a_100000736448_200015260668 [0,3,0,0,0,0|1,0,0]=4 5678 B12R1.32 CN(CC=O)CC1CCCCC1 269982a_100000736448_200015260668 [0,3,0,0,0,0|1,0,0]=4 5679 B12R1.32 CN(CC=O)CC1CCCCC1 34a_100000736448_200009817547 [0,3,0,0,0,0|1,0,0]=4 5680 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_100015207117_200000210301 [0,3,0,0,0,0|1,0,0]=4 5681 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_106832991635_100000183541 [0,3,0,0,0,0|1,0,0]=4 5682 B12R1.32 CNCC(=O)NC1CCCCC1 34a_100102657272_100000183541 [0,3,0,0,0,0|1,0,0]=4 5683 B12R1.32 CNCC(=O)NC1CCCCC1 7a_106832991635_100000183541 [0,3,0,0,0,0|1,0,0]=4 5684 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,3,0,0,0,0|0,0,0]=3 5685 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,3,0,0,0,0|0,0,0]=3 5686 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,3,0,0,0,0|0,0,0]=3 5687 B12R1.32 CNNC(=O)CC1CCCCC1 22a_100016993582_100000211666 [0,3,0,0,0,0|1,0,0]=4 5688 B12R1.32 CNNC(=O)NC1CCCCC1 273464a_100000182618_100016993582 [0,3,0,0,0,0|1,0,0]=4 5689 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,3,0,0,0,0|1,0,0]=4 5690 B12R1.32 COCC(=O)NC1CCCCC1 11a_100000182618_100000210968 [0,3,0,0,0,0|1,0,0]=4 5691 B12R1.32 COCC(=O)NC1CCCCC1 1626a_100000182618_100000210968 [0,3,0,0,0,0|1,0,0]=4 5692 B12R1.32 COCC(=O)NC1CCCCC1 240690a_100000182618_100000210968 [0,3,0,0,0,0|1,0,0]=4 5693 B12R1.32 COCC(=O)NC1CCCCC1 34a_100138415774_100000183541 [0,3,0,0,0,0|1,0,0]=4 5694 B12R1.32 COCC(=O)NC1CCCCC1 527a_100000182618_100000210968 [0,3,0,0,0,0|1,0,0]=4 5695 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,3,0,0,0,0|0,0,0]=3 5696 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [0,3,0,0,0,0|1,0,0]=4 5697 B12R1.32 CSCC(=O)NC1CCCCC1 11a_100000182618_100000184570 [0,3,0,0,0,0|1,0,0]=4 5698 B12R1.32 CSCC(=O)NC1CCCCC1 1626a_100000182618_100000184570 [0,3,0,0,0,0|1,0,0]=4 5699 B12R1.32 CSCC(=O)NC1CCCCC1 240690a_100000182618_100000184570 [0,3,0,0,0,0|1,0,0]=4 5700 B12R1.32 CSCC(=O)NC1CCCCC1 527a_100000182618_100000184570 [0,3,0,0,0,0|1,0,0]=4 5701 B12R1.32 CSCC(=O)NC1CCCCC1 62a_100000183541_200000210301 [0,3,0,0,0,0|1,0,0]=4 5702 B12R1.32 CSCC(=O)NC1CCCCC1 62a_200000210301_100000183541 [0,3,0,0,0,0|1,0,0]=4 5703 B12R1.32 CSCC(=O)OC1CCCCC1 62a_100000041653_200000210301 [0,3,0,0,0,0|0,0,0]=3 5704 B12R1.32 CSCC(=O)OC1CCCCC1 62a_200000210301_100000041653 [0,3,0,0,0,0|0,0,0]=3 5705 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100000211666_100011214920 [0,3,0,0,0,0|1,0,0]=4 5706 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100051588842_100000211423 [0,3,0,0,0,0|1,0,0]=4 5707 B12R1.32 N#CCC(=O)NC1CCCCC1 1626a_100000182618_100051588842 [0,3,0,0,0,0|1,0,0]=4 5708 B12R1.32 N#CCC(=O)NC1CCCCC1 240690a_100000182618_100051588842 [0,3,0,0,0,0|1,0,0]=4 5709 B12R1.32 O=C(C=CBr)CC1CCCCC1 1458a_100016273825_100000211423 [0,3,0,0,0,0|1,0,0]=4 5710 B12R1.32 O=C(C=CBr)NC1CCCCC1 1626a_100000182618_100016273825 [0,3,0,0,0,0|1,0,0]=4 5711 B12R1.32 O=C(C=CBr)NC1CCCCC1 240690a_100000182618_100016273825 [0,3,0,0,0,0|1,0,0]=4 5712 B12R1.32 O=C(C=CCl)CC1CCCCC1 1458a_200016279998_100000211423 [0,3,0,0,0,0|1,0,0]=4 5713 B12R1.32 O=C(C=CCl)NC1CCCCC1 11a_100000182618_200016279998 [0,3,0,0,0,0|1,0,0]=4 5714 B12R1.32 O=C(C=CCl)NC1CCCCC1 1626a_100000182618_200016279998 [0,3,0,0,0,0|1,0,0]=4 5715 B12R1.32 O=C(C=CCl)NC1CCCCC1 240690a_100000182618_200016279998 [0,3,0,0,0,0|1,0,0]=4 5716 B12R1.32 O=C(C=CI)CC1CCCCC1 1458a_100016256311_100000211423 [0,3,0,0,0,0|1,0,0]=4 5717 B12R1.32 O=C(C=CI)NC1CCCCC1 1626a_100000182618_100016256311 [0,3,0,0,0,0|1,0,0]=4 5718 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,3,0,0,0,0|1,0,0]=4 5719 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,3,0,0,0,0|1,0,0]=4 5720 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,3,0,0,0,0|1,0,0]=4 5721 B12R1.32 O=C(CCO)NC1CCCCC1 240690a_100000182618_100011216618 [0,3,0,0,0,0|1,0,0]=4 5722 B12R1.32 [13CH3]NCC(=O)NC1CCCCC1 2230a_100015207117_200025704644 [0,3,0,0,0,0|1,0,0]=4 5723 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_100000183541_200025704644 [0,3,0,0,0,0|1,0,0]=4 5724 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_200025704644_100000183541 [0,3,0,0,0,0|1,0,0]=4 5725 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_100000041653_200025704644 [0,3,0,0,0,0|0,0,0]=3 5726 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_200025704644_100000041653 [0,3,0,0,0,0|0,0,0]=3 5727 B12R1.252 C=C(Br)CCOC1CCCCC1 34a_100009813270_100000210327 [0,3,0,0,0,0|1,0,0]=4 5728 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,3,0,0,0,0|1,0,0]=4 5729 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,3,0,0,0,0|1,0,0]=4 5730 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,3,0,0,0,0|1,0,0]=4 5731 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,3,0,0,0,0|1,0,0]=4 5732 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,3,0,0,0,0|1,0,0]=4 5733 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,3,0,0,0,0|1,0,0]=4 5734 B12R1.252 C=C(F)COCC1CCCCC1 34a_100000212181_100009893438 [0,3,0,0,0,0|1,0,0]=4 5735 B12R1.252 C=C(F)COCC1CCCCC1 34a_200010262243_100000211423 [0,3,0,0,0,0|1,0,0]=4 5736 B12R1.252 C=C(F)COCC1CCCCC1 7a_100000212181_100000042424 [0,3,0,0,0,0|1,0,0]=4 5737 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000210231_100000761012 [0,3,0,0,0,0|1,0,0]=4 5738 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000753907_100000210327 [0,3,0,0,0,0|1,0,0]=4 5739 B12R1.252 CC(=CCOC1CCCCC1)C 7a_100000210231_100000761012 [0,3,0,0,0,0|1,0,0]=4 5740 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,3,0,0,0,0|1,0,0]=4 5741 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,3,0,0,0,0|1,0,0]=4 5742 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,3,0,0,0,0|0,0,0]=3 5743 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,3,0,0,0,0|0,0,0]=3 5744 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,3,0,0,0,0|0,0,0]=3 5745 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,3,0,0,0,0|0,0,0]=3 5746 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,3,0,0,0,0|1,0,0]=4 5747 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,3,0,0,0,0|1,0,0]=4 5748 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,3,0,0,0,0|1,0,0]=4 5749 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,3,0,0,0,0|1,0,0]=4 5750 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,3,0,0,0,0|1,0,0]=4 5751 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,3,0,0,0,0|1,0,0]=4 5752 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,3,0,0,0,0|1,0,0]=4 5753 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,3,0,0,0,0|1,0,0]=4 5754 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,3,0,0,0,0|0,1,0]=4 5755 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,3,0,0,0,0|0,1,0]=4 5756 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,3,0,0,0,0|0,0,0]=3 5757 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,3,0,0,0,0|1,0,0]=4 5758 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,3,0,0,0,0|1,0,0]=4 5759 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,3,0,0,0,0|1,0,0]=4 5760 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,3,0,0,0,0|1,0,0]=4 5761 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,3,0,0,0,0|1,0,0]=4 5762 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,3,0,0,0,0|1,0,0]=4 5763 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,3,0,0,0,0|1,0,0]=4 5764 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,3,0,0,0,0|1,0,0]=4 5765 B12R1.252 CC(=O)NN=CC1CCCCC1 4a_100000189765_100000211278 [0,3,0,0,0,0|1,0,0]=4 5766 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,3,0,0,0,0|1,0,0]=4 5767 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,3,0,0,0,0|0,0,0]=3 5768 B12R1.252 CC(=O)OCNC1CCCOC1 34a_100000719290_100009813279 [0,3,0,0,0,0|1,0,0]=4 5769 B12R1.252 CC(=O)OCNC1CCOCC1 34a_100000741149_100009813279 [0,3,0,0,0,0|1,0,0]=4 5770 B12R1.252 CC(=O)OCNC1CCSCC1 34a_100000748639_100009813279 [0,3,0,0,0,0|1,0,0]=4 5771 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,3,0,0,0,0|0,0,0]=3 5772 B12R1.252 CC(=O)OCOC1CCCCO1 34a_100000033831_100009813279 [0,3,0,0,0,0|1,0,0]=4 5773 B12R1.252 CC(=O)OCOC1CCCOC1 34a_100000754041_100009813279 [0,3,0,0,0,0|1,0,0]=4 5774 B12R1.252 CC(=O)OCOC1CCOCC1 34a_100000744328_100009813279 [0,3,0,0,0,0|1,0,0]=4 5775 B12R1.252 CC(=O)OCOC1CCSCC1 34a_100000731022_100009813279 [0,3,0,0,0,0|1,0,0]=4 5776 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,3,0,0,0,0|0,0,0]=3 5777 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,3,0,0,0,0|0,0,0]=3 5778 B12R1.252 CC(=O)OCSC1CCCOC1 62a_100000076356_100000693364 [0,3,0,0,0,0|1,0,0]=4 5779 B12R1.252 CC(=O)OCSC1CCOCC1 62a_100000076356_100011324220 [0,3,0,0,0,0|1,0,0]=4 5780 B12R1.252 CC(=O)OCSC1CCSCC1 62a_100000076356_100000069128 [0,3,0,0,0,0|1,0,0]=4 5781 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,3,0,0,0,0|1,0,0]=4 5782 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,3,0,0,0,0|1,0,0]=4 5783 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,3,0,0,0,0|0,0,0]=3 5784 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,3,0,0,0,0|0,0,0]=3 5785 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,3,0,0,0,0|0,0,0]=3 5786 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,3,0,0,0,0|0,0,0]=3 5787 B12R1.252 NC(=O)CCOC1CCCCO1 34a_100000033831_100000731001 [0,3,0,0,0,0|1,0,0]=4 5788 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000754041_100000731001 [0,3,0,0,0,0|1,0,0]=4 5789 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000757172_100000693364 [0,3,0,0,0,0|1,0,0]=4 5790 B12R1.252 NC(=O)CCOC1CCCOC1 7a_100000757172_100000693364 [0,3,0,0,0,0|1,0,0]=4 5791 B12R1.252 NC(=O)CCOC1CCCSC1 7a_100015962668_100000744528 [0,3,0,0,0,0|1,0,0]=4 5792 B12R1.252 NC(=O)CCOC1CCOCC1 34a_100000744328_100000731001 [0,3,0,0,0,0|1,0,0]=4 5793 B12R1.252 NC(=O)CCOC1CCOCC1 7a_100000757172_100000686592 [0,3,0,0,0,0|1,0,0]=4 5794 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000731022_100000731001 [0,3,0,0,0,0|1,0,0]=4 5795 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000757172_100000069128 [0,3,0,0,0,0|1,0,0]=4 5796 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000731022_100000744528 [0,3,0,0,0,0|1,0,0]=4 5797 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000757172_100011500858 [0,3,0,0,0,0|1,0,0]=4 5798 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,3,0,0,0,0|0,1,0]=4 5799 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,3,0,0,0,0|0,1,0]=4 5800 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,3,0,0,0,0|1,0,0]=4 5801 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,3,0,0,0,0|1,0,0]=4 5802 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,3,0,0,0,0|1,0,0]=4 5803 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,3,0,0,0,0|0,0,0]=3 5804 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,3,0,0,0,0|0,0,0]=3 5805 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [0,3,0,0,0,0|1,0,0]=4 5806 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [0,3,0,0,0,0|1,0,0]=4 5807 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [0,3,0,0,0,0|1,0,0]=4 5808 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [0,3,0,0,0,0|1,0,0]=4 5809 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [0,3,0,0,0,0|1,0,0]=4 5810 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [0,3,0,0,0,0|1,0,0]=4 5811 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [0,3,0,0,0,0|1,0,0]=4 5812 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [0,3,0,0,0,0|1,0,0]=4 5813 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [0,3,0,0,0,0|1,0,0]=4 5814 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,3,0,0,0,0|0,1,0]=4 5815 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,3,0,0,0,0|0,1,0]=4 5816 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,3,0,0,0,0|1,0,0]=4 5817 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,3,0,0,0,0|0,0,0]=3 5818 B12R1.252 O=C(O)CONC1CCCOC1 269956a_100000106656_100000693364 [0,3,0,0,0,0|1,0,0]=4 5819 B12R1.252 O=C(O)CONC1CCOCC1 269956a_100000106656_100011324220 [0,3,0,0,0,0|1,0,0]=4 5820 B12R1.252 O=C(O)CONC1CCSCC1 269956a_100000106656_100000069128 [0,3,0,0,0,0|1,0,0]=4 5821 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,3,0,0,0,0|1,0,0]=4 5822 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,3,0,0,0,0|0,0,0]=3 5823 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,3,0,0,0,0|1,0,0]=4 5824 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [0,3,0,0,0,0|1,0,0]=4 5825 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [0,3,0,0,0,0|1,0,0]=4 5826 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [0,3,0,0,0,0|1,0,0]=4 5827 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [0,3,0,0,0,0|1,0,0]=4 5828 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [0,3,0,0,0,0|1,0,0]=4 5829 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [0,3,0,0,0,0|1,0,0]=4 5830 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,3,0,0,0,0|0,1,0]=4 5831 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,3,0,0,0,0|0,1,0]=4 5832 B12R1.252 O=[N+]([O-])COCC1CCCCC1 34a_100000212181_100000761209 [0,3,0,0,0,0|0,0,1]=4 5833 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,3,0,0,0,0|1,0,0]=4 5834 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,3,0,0,0,0|1,0,0]=4 5835 B12R1.1997 C/C=C/COC1(CCCCC1)C 34a_100011215885_100102629194 [0,3,0,0,0,0|1,0,0]=4 5836 B12R1.1997 C/C=C/COC1(CCCCC1)C 7a_100011215885_100102629194 [0,3,0,0,0,0|1,0,0]=4 5837 B12R1.1997 C=CCCOC1(CCCCC1)C 34a_100011215885_100000754431 [0,3,0,0,0,0|1,0,0]=4 5838 B12R1.1997 C=CCCOC1(CCCCC1)C 7a_100011215885_100000754431 [0,3,0,0,0,0|1,0,0]=4 5839 B12R1.1997 C=CCOCC1(CCCCC1)C 34a_100000688186_100015514636 [0,3,0,0,0,0|1,0,0]=4 5840 B12R1.1997 C=CCOCC1(CCCCC1)C 7a_100000688186_100015514636 [0,3,0,0,0,0|1,0,0]=4 5841 B12R1.1997 C=CCOCC1(CCCCC1)F 34a_100000090305_100015514636 [0,3,0,0,0,0|1,0,0]=4 5842 B12R1.1997 C=CCOCC1(CCCCC1)F 7a_100000090305_100015514636 [0,3,0,0,0,0|1,0,0]=4 5843 B12R1.1997 C=CCOCC1(CCCCC1)N 34a_100000740034_100015514636 [0,3,0,0,0,0|1,0,0]=4 5844 B12R1.1997 CC1(CCCCC1)CNCC=O 2230a_100000706052_200015260668 [0,3,0,0,0,0|1,0,0]=4 5845 B12R1.1997 CC1(CCCCC1)CNCC=O 34a_100000706052_200009817547 [0,3,0,0,0,0|1,0,0]=4 5846 B12R1.1997 CC1(CCCCC1)COCC=O 34a_100000688186_200009817547 [0,3,0,0,0,0|0,0,0]=3 5847 B12R1.1997 CC1(CCCCC1)COCC=O 7a_100000688186_200015260668 [0,3,0,0,0,0|0,0,0]=3 5848 B12R1.1997 CC1(CCOCC1)COCC=O 34a_100000704393_200009817547 [0,3,0,0,0,0|1,0,0]=4 5849 B12R1.1997 CC1(CCOCC1)COCC=O 7a_100000704393_200015260668 [0,3,0,0,0,0|1,0,0]=4 5850 B12R1.1997 CC=CCOC1(CCCCC1)C 34a_100011215885_100000070051 [0,3,0,0,0,0|1,0,0]=4 5851 B12R1.1997 CC=CCOC1(CCCCC1)C 7a_100011215885_100000070051 [0,3,0,0,0,0|1,0,0]=4 5852 B12R1.1997 NC1(CCCCC1)COCC=O 34a_100000740034_200009817547 [0,3,0,0,0,0|0,0,0]=3 5853 B12R1.1997 NC1(CCOCC1)COCC=O 34a_100000751404_200009817547 [0,3,0,0,0,0|1,0,0]=4 5854 B12R1.1997 O=CCNCC1(CCCCC1)O 2230a_100000748649_200015260668 [0,3,0,0,0,0|1,0,0]=4 5855 B12R1.1997 O=CCNCC1(CCCCC1)O 34a_100000748649_200009817547 [0,3,0,0,0,0|1,0,0]=4 5856 B12R1.1997 O=CCOCC1(CCCCC1)F 34a_100000090305_200009817547 [0,3,0,0,0,0|0,0,0]=3 5857 B12R1.1997 O=CCOCC1(CCCCC1)F 7a_100000090305_200015260668 [0,3,0,0,0,0|0,0,0]=3 5858 B12R1.1997 O=CCOCC1(CCNCC1)F 34a_100016990393_200009817547 [0,3,0,0,0,0|1,0,0]=4 5859 B12R1.43 C=C(Br)C(=O)NC1CCCCC1 11a_100000182618_100009813364 [0,3,0,0,0,0|1,0,0]=4 5860 B12R1.43 C=C(Br)C(=O)NC1CCCCC1 1626a_100000182618_100009813364 [0,3,0,0,0,0|1,0,0]=4 5861 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,3,0,0,0,0|1,0,0]=4 5862 B12R1.43 C=C(C)C(=O)NC1CCCCC1 11a_100000182618_100000185857 [0,3,0,0,0,0|1,0,0]=4 5863 B12R1.43 C=C(C)C(=O)NC1CCCCC1 1626a_100000182618_100000185857 [0,3,0,0,0,0|1,0,0]=4 5864 B12R1.43 C=C(Cl)C(=O)NC1CCCCC1 11a_100000182618_100000039160 [0,3,0,0,0,0|1,0,0]=4 5865 B12R1.43 C=C(Cl)C(=O)NC1CCCCC1 1626a_100000182618_100000039160 [0,3,0,0,0,0|1,0,0]=4 5866 B12R1.43 C=C(F)C(=O)NC1CCCCC1 11a_100000182618_100000036797 [0,3,0,0,0,0|1,0,0]=4 5867 B12R1.43 C=C(F)C(=O)NC1CCCCC1 1626a_100000182618_100000036797 [0,3,0,0,0,0|1,0,0]=4 5868 B12R1.43 CC(=O)C(=O)NC1CCCCC1 1458a_200011297149_200000210301 [0,3,0,0,0,0|1,0,0]=4 5869 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,3,0,0,0,0|1,0,0]=4 5870 B12R1.43 CC(=O)C(C)NC1CCCCC1 2230a_100000182618_100009814033 [0,3,0,0,0,0|1,0,0]=4 5871 B12R1.43 CC(=O)C(C)OC1CCCCC1 34a_100000212229_100000210327 [0,3,0,0,0,0|0,0,0]=3 5872 B12R1.43 CC(=O)C(C)OC1CCCCC1 7a_100000210231_100000179758 [0,3,0,0,0,0|0,0,0]=3 5873 B12R1.43 CC(=O)C(C)OC1CCCOC1 34a_100000212229_100000693364 [0,3,0,0,0,0|1,0,0]=4 5874 B12R1.43 CC(=O)C(C)OC1CCCSC1 7a_100015962668_100000179758 [0,3,0,0,0,0|1,0,0]=4 5875 B12R1.43 CC(=O)C(C)OC1CCSCC1 34a_100000212229_100000069128 [0,3,0,0,0,0|1,0,0]=4 5876 B12R1.43 CC(=O)C(C)OC1CCSCC1 7a_100000731022_100000179758 [0,3,0,0,0,0|1,0,0]=4 5877 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100000210327_100009814033 [0,3,0,0,0,0|0,1,0]=4 5878 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100009814033_100000210327 [0,3,0,0,0,0|0,1,0]=4 5879 B12R1.43 CC(=O)N(C)CC1CCCCC1 11a_100000736448_100015343762 [0,3,0,0,0,0|1,0,0]=4 5880 B12R1.43 CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100015343762 [0,3,0,0,0,0|1,0,0]=4 5881 B12R1.43 CC(=O)N(C)CC1CCCCC1 240690a_100000736448_100015343762 [0,3,0,0,0,0|1,0,0]=4 5882 B12R1.43 CC(=O)N(C)CC1CCCCC1 527a_100000736448_100103153847 [0,3,0,0,0,0|1,0,0]=4 5883 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,3,0,0,0,0|1,0,0]=4 5884 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000210198_100000211423 [0,3,0,0,0,0|1,0,0]=4 5885 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000211666_100000210206 [0,3,0,0,0,0|1,0,0]=4 5886 B12R1.43 CC(C)C(=O)NC1CCCCC1 11a_100000182618_100000210198 [0,3,0,0,0,0|1,0,0]=4 5887 B12R1.43 CC(C)C(=O)NC1CCCCC1 1626a_100000182618_100000210198 [0,3,0,0,0,0|1,0,0]=4 5888 B12R1.43 CC(C)C(=O)NC1CCCCC1 240690a_100000182618_100000210198 [0,3,0,0,0,0|1,0,0]=4 5889 B12R1.43 CC(C)C(=O)NC1CCCCC1 527a_100000182618_100000210198 [0,3,0,0,0,0|1,0,0]=4 5890 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,3,0,0,0,0|1,0,0]=4 5891 B12R1.43 CC(F)C(=O)CC1CCCCC1 1458a_100000062450_100000211423 [0,3,0,0,0,0|1,0,0]=4 5892 B12R1.43 CC(F)C(=O)NC1CCCCC1 11a_100000182618_100000062450 [0,3,0,0,0,0|1,0,0]=4 5893 B12R1.43 CC(F)C(=O)NC1CCCCC1 1626a_100000182618_100000062450 [0,3,0,0,0,0|1,0,0]=4 5894 B12R1.43 CC(F)C(=O)NC1CCCCC1 240690a_100000182618_100000062450 [0,3,0,0,0,0|1,0,0]=4 5895 B12R1.43 CC(F)C(=O)NC1CCCCC1 527a_100000182618_100000062450 [0,3,0,0,0,0|1,0,0]=4 5896 B12R1.43 CC(NC1CCCCC1)C(=O)N 2230a_100000182618_100000702099 [0,3,0,0,0,0|1,0,0]=4 5897 B12R1.43 CC(NC1CCCCC1)C(=O)N 34a_100000182618_100000702099 [0,3,0,0,0,0|1,0,0]=4 5898 B12R1.43 CC(OC1CCCCC1)C(=O)N 34a_100000210231_100000702099 [0,3,0,0,0,0|0,0,0]=3 5899 B12R1.43 CC(OC1CCCCC1)C(=O)N 7a_100000210231_100000702099 [0,3,0,0,0,0|0,0,0]=3 5900 B12R1.43 CC(OC1CCCCO1)C(=O)N 34a_100000033831_100000702099 [0,3,0,0,0,0|1,0,0]=4 5901 B12R1.43 CC(OC1CCCOC1)C(=O)N 34a_100000754041_100000702099 [0,3,0,0,0,0|1,0,0]=4 5902 B12R1.43 CC(OC1CCCSC1)C(=O)N 7a_100015962668_100000702099 [0,3,0,0,0,0|1,0,0]=4 5903 B12R1.43 CC(OC1CCOCC1)C(=O)N 34a_100000744328_100000702099 [0,3,0,0,0,0|1,0,0]=4 5904 B12R1.43 CC(OC1CCSCC1)C(=O)N 34a_100000731022_100000702099 [0,3,0,0,0,0|1,0,0]=4 5905 B12R1.43 CC(OC1CCSCC1)C(=O)N 7a_100000731022_100000702099 [0,3,0,0,0,0|1,0,0]=4 5906 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000210327_100000702099 [0,3,0,0,0,0|0,1,0]=4 5907 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000702099_100000210327 [0,3,0,0,0,0|0,1,0]=4 5908 B12R1.43 CN(C)C(=O)CC1CCCCC1 11a_100102631434_100000211666 [0,3,0,0,0,0|1,0,0]=4 5909 B12R1.43 CN(C)C(=O)CC1CCCCC1 1626a_100102631434_100000211666 [0,3,0,0,0,0|1,0,0]=4 5910 B12R1.43 CN(C)C(=O)CC1CCCCC1 240690a_100102631434_100000211666 [0,3,0,0,0,0|1,0,0]=4 5911 B12R1.43 CN(C)C(=O)CC1CCCCC1 527a_100102631434_100000211666 [0,3,0,0,0,0|1,0,0]=4 5912 B12R1.43 CN(C)C(=O)NC1CCCCC1 2708a_100000182618_100102631434 [0,3,0,0,0,0|1,0,0]=4 5913 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 270004a_100000119354_100000210434 [0,3,0,0,0,0|1,0,0]=4 5914 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 34a_100000119354_100000210327 [0,3,0,0,0,0|1,0,0]=4 5915 B12R1.43 C[C@@H](O)C(=O)CC1CCCCC1 1458a_100000717761_100000211423 [0,3,0,0,0,0|1,0,0]=4 5916 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 240690a_100000182618_100000717761 [0,3,0,0,0,0|1,0,0]=4 5917 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 34a_100000731257_100000210327 [0,3,0,0,0,0|0,0,0]=3 5918 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 7a_100000731257_100000210327 [0,3,0,0,0,0|0,0,0]=3 5919 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 34a_100000731257_100000693364 [0,3,0,0,0,0|1,0,0]=4 5920 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 7a_100000731257_100000693364 [0,3,0,0,0,0|1,0,0]=4 5921 B12R1.43 C[C@@H](OC1CCOCC1)C(=O)N 7a_100000731257_100000686592 [0,3,0,0,0,0|1,0,0]=4 5922 B12R1.43 C[C@@H](OC1CCSCC1)C(=O)N 34a_100000731257_100000069128 [0,3,0,0,0,0|1,0,0]=4 5923 B12R1.43 C[C@@H](OC1CCSCC1)C(=O)N 7a_100000731257_100011500858 [0,3,0,0,0,0|1,0,0]=4 5924 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O 269956a_100000743915_100000210327 [0,3,0,0,0,0|1,0,0]=4 5925 B12R1.43 C[C@H](O)C(=O)CC1CCCCC1 1458a_217856618621_100000211423 [0,3,0,0,0,0|1,0,0]=4 5926 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 1626a_100000182618_217856618621 [0,3,0,0,0,0|1,0,0]=4 5927 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 240690a_100000182618_217856618621 [0,3,0,0,0,0|1,0,0]=4 5928 B12R1.43 C[C@H](OC1CCCCC1)C(=O)[O-] 7a_217856618621_100000210327 [0,3,0,0,0,0|0,0,0]=3 5929 B12R1.43 C[C@H](OC1CCCOC1)C(=O)[O-] 7a_217856618621_100000693364 [0,3,0,0,0,0|1,0,0]=4 5930 B12R1.43 C[C@H](OC1CCOCC1)C(=O)[O-] 7a_217856618621_100000686592 [0,3,0,0,0,0|1,0,0]=4 5931 B12R1.43 C[C@H](OC1CCSCC1)C(=O)[O-] 7a_217856618621_100011500858 [0,3,0,0,0,0|1,0,0]=4 5932 B12R1.43 NC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100011215815 [0,3,0,0,0,0|1,0,0]=4 5933 B12R1.43 NC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813875 [0,3,0,0,0,0|1,0,0]=4 5934 B12R1.43 NC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813875 [0,3,0,0,0,0|1,0,0]=4 5935 B12R1.43 NC(=O)C(F)OC1CCCCC1 34a_100000210231_100009813875 [0,3,0,0,0,0|0,0,0]=3 5936 B12R1.43 NC(=O)C(F)OC1CCCCC1 7a_100000210231_100009813875 [0,3,0,0,0,0|0,0,0]=3 5937 B12R1.43 NC(=O)C(F)OC1CCCCO1 34a_100000033831_100009813875 [0,3,0,0,0,0|1,0,0]=4 5938 B12R1.43 NC(=O)C(F)OC1CCCOC1 34a_100000754041_100009813875 [0,3,0,0,0,0|1,0,0]=4 5939 B12R1.43 NC(=O)C(F)OC1CCCSC1 7a_100015962668_100009813875 [0,3,0,0,0,0|1,0,0]=4 5940 B12R1.43 NC(=O)C(F)OC1CCOCC1 34a_100000744328_100009813875 [0,3,0,0,0,0|1,0,0]=4 5941 B12R1.43 NC(=O)C(F)OC1CCSCC1 34a_100000731022_100009813875 [0,3,0,0,0,0|1,0,0]=4 5942 B12R1.43 NC(=O)C(F)OC1CCSCC1 7a_100000731022_100009813875 [0,3,0,0,0,0|1,0,0]=4 5943 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100000210327_100009813875 [0,3,0,0,0,0|0,1,0]=4 5944 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100009813875_100000210327 [0,3,0,0,0,0|0,1,0]=4 5945 B12R1.43 O=C(CC1CCCCC1)C(O)O 1458a_100000233687_100000211423 [0,3,0,0,0,0|1,0,0]=4 5946 B12R1.43 O=C(NC1CCCCC1)C(F)F 11a_100000182618_100000210393 [0,3,0,0,0,0|1,0,0]=4 5947 B12R1.43 O=C(NC1CCCCC1)C(F)F 1626a_100000182618_100000210393 [0,3,0,0,0,0|1,0,0]=4 5948 B12R1.43 O=C(NC1CCCCC1)C(F)F 240690a_100000182618_100000210393 [0,3,0,0,0,0|1,0,0]=4 5949 B12R1.43 O=C(NC1CCCCC1)C(F)F 527a_100000182618_100000210393 [0,3,0,0,0,0|1,0,0]=4 5950 B12R1.43 O=C(NC1CCCCC1)C(O)O 240690a_100000182618_100000233687 [0,3,0,0,0,0|1,0,0]=4 5951 B12R1.43 O=C([O-])C(F)NC1CCCCC1 34a_100000182618_100020610796 [0,3,0,0,0,0|1,0,0]=4 5952 B12R1.43 O=C([O-])C(F)OC1CCCCC1 34a_100000210231_100020610796 [0,3,0,0,0,0|0,0,0]=3 5953 B12R1.43 O=C([O-])C(F)OC1CCCCO1 34a_100000033831_100020610796 [0,3,0,0,0,0|1,0,0]=4 5954 B12R1.43 O=C([O-])C(F)OC1CCCOC1 34a_100000754041_100020610796 [0,3,0,0,0,0|1,0,0]=4 5955 B12R1.43 O=C([O-])C(F)OC1CCOCC1 34a_100000744328_100020610796 [0,3,0,0,0,0|1,0,0]=4 5956 B12R1.43 O=C([O-])C(F)OC1CCSCC1 34a_100000731022_100020610796 [0,3,0,0,0,0|1,0,0]=4 5957 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100000210327_100020610796 [0,3,0,0,0,0|0,1,0]=4 5958 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100020610796_100000210327 [0,3,0,0,0,0|0,1,0]=4 5959 B12R1.43 [13CH3]C(=O)C(=O)NC1CCCCC1 1458a_200011297149_200025704644 [0,3,0,0,0,0|1,0,0]=4 5960 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,3,0,0,0,0|1,0,0]=4 5961 B12R1.118 C=CC(C=C)OC1CCCCC1 34a_100000033096_100000210327 [0,3,0,0,0,0|1,0,0]=4 5962 B12R1.118 C=CC(CC)OC1CCCCC1 34a_100000766422_100000210327 [0,3,0,0,0,0|1,0,0]=4 5963 B12R1.118 C=CC(CC)OC1CCCCC1 7a_100000766422_100000210327 [0,3,0,0,0,0|1,0,0]=4 5964 B12R1.118 O=CC(C=O)NC1CCCCC1 2230a_100000182618_100000736813 [0,3,0,0,0,0|1,0,0]=4 5965 B12R1.118 O=CC(C=O)NC1CCCCC1 34a_100000182618_100000736813 [0,3,0,0,0,0|1,0,0]=4 5966 B12R1.118 O=CC(C=O)OC1CCCCC1 34a_100000210231_100000736813 [0,3,0,0,0,0|0,0,0]=3 5967 B12R1.118 O=CC(C=O)OC1CCCCO1 34a_100000033831_100000736813 [0,3,0,0,0,0|1,0,0]=4 5968 B12R1.118 O=CC(C=O)OC1CCCOC1 34a_100000754041_100000736813 [0,3,0,0,0,0|1,0,0]=4 5969 B12R1.118 O=CC(C=O)OC1CCOCC1 34a_100000744328_100000736813 [0,3,0,0,0,0|1,0,0]=4 5970 B12R1.118 O=CC(C=O)OC1CCSCC1 34a_100000731022_100000736813 [0,3,0,0,0,0|1,0,0]=4 5971 B12R1.118 O=CC(C=O)SC1CCCCC1 62a_100000210327_100000736813 [0,3,0,0,0,0|0,1,0]=4 5972 B12R1.118 O=CC(C=O)SC1CCCCC1 62a_100000736813_100000210327 [0,3,0,0,0,0|0,1,0]=4 5973 B12R1.194 C=CC(C)(C)OC1CCCCC1 34a_100011215311_100000210327 [0,3,0,0,0,0|1,0,0]=4 5974 B12R1.194 C=CC(C)(C)OC1CCCCC1 7a_100011215311_100000210327 [0,3,0,0,0,0|1,0,0]=4 5975 B12R1.3524 C=CC(=O)NC1(CCCCC1)C 1626a_100000741114_100000185746 [0,3,0,0,0,0|1,0,0]=4 5976 B12R1.3524 C=CC(=O)NC1(CCCCC1)C 240690a_100000741114_200121576911 [0,3,0,0,0,0|1,0,0]=4 5977 B12R1.3524 CC1(CCCCC1)NC(=O)CO 240690a_100000741114_100000210174 [0,3,0,0,0,0|1,0,0]=4 5978 B12R1.3524 CC1(CCCCC1)NC(=O)CO 527a_100000741114_100000210174 [0,3,0,0,0,0|1,0,0]=4 5979 B12R1.3524 CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210202 [0,3,0,0,0,0|1,0,0]=4 5980 B12R1.3524 CCC(=O)NC1(CCCCC1)C 11a_100000741114_100000210414 [0,3,0,0,0,0|1,0,0]=4 5981 B12R1.3524 CCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000210414 [0,3,0,0,0,0|1,0,0]=4 5982 B12R1.3524 CCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000210414 [0,3,0,0,0,0|1,0,0]=4 5983 B12R1.3524 CCC(=O)NC1(CCCCC1)C 527a_100000741114_100000210414 [0,3,0,0,0,0|1,0,0]=4 5984 B12R1.3524 CNC(=O)CC1(CCCCC1)O 240690a_100102657272_100000755886 [0,3,0,0,0,0|1,0,0]=4 5985 B12R1.3524 CNC(=O)CC1(CCCCC1)O 527a_100102657272_100000755886 [0,3,0,0,0,0|1,0,0]=4 5986 B12R1.3524 CNC(=O)NC1(CCCCC1)C 2708a_100102657272_100000741114 [0,3,0,0,0,0|1,0,0]=4 5987 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100000741114_100102657272 [0,3,0,0,0,0|1,0,0]=4 5988 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100102657272_100000741114 [0,3,0,0,0,0|1,0,0]=4 5989 B12R1.3524 CNC(=O)NC1(CCCCC1)C 512a_100000741114_100102657272 [0,3,0,0,0,0|1,0,0]=4 5990 B12R1.3524 O=C(CF)CC1(CCCCC1)O 1458a_100000755886_100015361967 [0,3,0,0,0,0|1,0,0]=4 5991 B12R1.891 O=S(=O)([O-])COC1CCCCC1 34a_100000210231_100009817235 [0,3,0,0,0,0|0,0,1]=4 5992 B12R1.3110 C=C(C)COC1(CCCCC1)C 34a_100011215885_100000748629 [0,3,0,0,0,0|1,0,0]=4 5993 B12R1.3110 C=C(C)COC1(CCCCC1)C 7a_100011215885_100000748629 [0,3,0,0,0,0|1,0,0]=4 5994 B12R1.3110 C=C(F)COC1(CCCCC1)C 34a_100011215885_100009893438 [0,3,0,0,0,0|1,0,0]=4 5995 B12R1.3110 C=C(F)COC1(CCCCC1)C 7a_100011215885_100000042424 [0,3,0,0,0,0|1,0,0]=4 5996 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [0,3,0,0,0,0|1,0,0]=4 5997 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [0,3,0,0,0,0|1,0,0]=4 5998 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [0,3,0,0,0,0|1,0,0]=4 5999 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [0,3,0,0,0,0|1,0,0]=4 6000 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [0,3,0,0,0,0|1,0,0]=4 6001 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [0,3,0,0,0,0|1,0,0]=4 6002 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [0,3,0,0,0,0|1,0,0]=4 6003 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [0,3,0,0,0,0|1,0,0]=4 6004 B12R1.3110 CC1(CCCCC1)NCC(=O)N 2230a_100000741114_100000747473 [0,3,0,0,0,0|1,0,0]=4 6005 B12R1.3110 CC1(CCCCC1)NCC(=O)N 34a_100000741114_100000187820 [0,3,0,0,0,0|1,0,0]=4 6006 B12R1.3110 CC1(CCCCC1)NCC(=O)[O-] 34a_100000741114_100020667443 [0,3,0,0,0,0|1,0,0]=4 6007 B12R1.3110 CC1(CCCCC1)OCC(=O)N 34a_100011215885_100000187820 [0,3,0,0,0,0|0,0,0]=3 6008 B12R1.3110 CC1(CCCCC1)OCC(=O)N 7a_100011215885_100000187820 [0,3,0,0,0,0|0,0,0]=3 6009 B12R1.3110 CC1(CCCCC1)OCC(=O)[O-] 34a_100011215885_100020667443 [0,3,0,0,0,0|0,0,0]=3 6010 B12R1.3110 CC1(CCCCC1)OC[N+](=O)[O-] 34a_100011215885_100000761209 [0,3,0,0,0,0|0,0,1]=4 6011 B12R1.3110 CC1(CCOCC1)OCC(=O)N 34a_100011827762_100000187820 [0,3,0,0,0,0|1,0,0]=4 6012 B12R1.3110 CC1(CCOCC1)OCC(=O)N 7a_100011827762_100000187820 [0,3,0,0,0,0|1,0,0]=4 6013 B12R1.3110 CC1(CCOCC1)OCC(=O)[O-] 34a_100011827762_100020667443 [0,3,0,0,0,0|1,0,0]=4 6014 B12R1.3110 CC1(CCSCC1)OCC(=O)N 34a_200011004327_100000187820 [0,3,0,0,0,0|1,0,0]=4 6015 B12R1.3110 CC1(CCSCC1)OCC(=O)N 7a_200011004327_100000187820 [0,3,0,0,0,0|1,0,0]=4 6016 B12R1.3110 CC1(CCSCC1)OCC(=O)[O-] 34a_200011004327_100020667443 [0,3,0,0,0,0|1,0,0]=4 6017 B12R1.2279 C#CC1(CCCCC1)NCC=O 2230a_100132314160_200015260668 [0,3,0,0,0,0|1,0,0]=4 6018 B12R1.2279 C#CC1(CCCCC1)NCC=O 34a_100132314160_200009817547 [0,3,0,0,0,0|1,0,0]=4 6019 B12R1.2279 C#CC1(CCCCC1)OCC=C 34a_100011215672_100015514636 [0,3,0,0,0,0|1,0,0]=4 6020 B12R1.2279 C#CC1(CCCCC1)OCC=C 7a_100011215672_100015514636 [0,3,0,0,0,0|1,0,0]=4 6021 B12R1.2279 C#CC1(CCCCC1)OCC=O 34a_100011215672_200009817547 [0,3,0,0,0,0|0,0,0]=3 6022 B12R1.2279 C#CC1(CCCCC1)OCC=O 7a_100011215672_200015260668 [0,3,0,0,0,0|0,0,0]=3 6023 B12R1.2279 C#CC1(CCCNC1)OCC=O 34a_100025709964_200009817547 [0,3,0,0,0,0|1,0,0]=4 6024 B12R1.2279 C#CC1(CCOCC1)OCC=O 34a_100012169490_200009817547 [0,3,0,0,0,0|1,0,0]=4 6025 B12R1.2279 C#CC1(CCOCC1)OCC=O 7a_100012169490_200015260668 [0,3,0,0,0,0|1,0,0]=4 6026 B12R1.2279 C=CC1(CCCCC1)OCC=O 34a_200011934219_200009817547 [0,3,0,0,0,0|0,0,0]=3 6027 B12R1.2279 C=CC1(CCCCC1)OCC=O 7a_200011934219_200015260668 [0,3,0,0,0,0|0,0,0]=3 6028 B12R1.2279 C=CCOC1(CCCCC1)C=C 34a_200011934219_100015514636 [0,3,0,0,0,0|1,0,0]=4 6029 B12R1.2279 C=CCOC1(CCCCC1)C=C 7a_200011934219_100015514636 [0,3,0,0,0,0|1,0,0]=4 6030 B12R1.2279 C=CCOC1(CCCCC1)CC 34a_100011216009_100015514636 [0,3,0,0,0,0|1,0,0]=4 6031 B12R1.2279 C=CCOC1(CCCCC1)CC 7a_100011216009_100015514636 [0,3,0,0,0,0|1,0,0]=4 6032 B12R1.2279 C=CCOC1(CCCCC1)CN 34a_100000748649_100015514636 [0,3,0,0,0,0|1,0,0]=4 6033 B12R1.2279 CCC1(CCCCC1)OCC=O 34a_100011216009_200009817547 [0,3,0,0,0,0|0,0,0]=3 6034 B12R1.2279 CCC1(CCCCC1)OCC=O 7a_100011216009_200015260668 [0,3,0,0,0,0|0,0,0]=3 6035 B12R1.2279 N#CC1(CCCCC1)NCC=O 34a_100000184641_200009817547 [0,3,0,0,0,0|1,0,0]=4 6036 B12R1.2279 N#CC1(CCOCC1)OCC=O 34a_100000751910_200009817547 [0,3,0,0,0,0|1,0,0]=4 6037 B12R1.2279 N#CC1(CCOCC1)OCC=O 7a_100000751910_200015260668 [0,3,0,0,0,0|1,0,0]=4 6038 B12R1.2279 NCC1(CCCCC1)OCC=O 34a_100000748649_200009817547 [0,3,0,0,0,0|0,0,0]=3 6039 B12R1.2279 NCC1(CCOCC1)OCC=O 34a_100000704115_200009817547 [0,3,0,0,0,0|1,0,0]=4 6040 B12R1.2279 NCC1(CCSCC1)OCC=O 34a_100000758141_200009817547 [0,3,0,0,0,0|1,0,0]=4 6041 B12R1.2279 O=CCNC1(CCCCC1)CO 2230a_100000740034_200015260668 [0,3,0,0,0,0|1,0,0]=4 6042 B12R1.2279 O=CCNC1(CCCCC1)CO 34a_100000740034_200009817547 [0,3,0,0,0,0|1,0,0]=4 6043 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 11a_100132314160_100015343762 [0,3,0,0,0,0|1,0,0]=4 6044 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 1626a_100132314160_100015343762 [0,3,0,0,0,0|1,0,0]=4 6045 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 240690a_100132314160_100015343762 [0,3,0,0,0,0|1,0,0]=4 6046 B12R1.3862 CC(=O)CC1(CCCCC1)C#N 1458a_100000070787_100011219015 [0,3,0,0,0,0|1,0,0]=4 6047 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 11a_100000184641_100015343762 [0,3,0,0,0,0|1,0,0]=4 6048 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 1626a_100000184641_100015343762 [0,3,0,0,0,0|1,0,0]=4 6049 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 240690a_100000184641_100015343762 [0,3,0,0,0,0|1,0,0]=4 6050 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 527a_100000184641_100103153847 [0,3,0,0,0,0|1,0,0]=4 6051 B12R1.3862 CC(=O)NC1(CCCCC1)CO 240690a_100000740034_100015343762 [0,3,0,0,0,0|1,0,0]=4 6052 B12R1.3862 CC(=O)NC1(CCCCC1)CO 527a_100000740034_100103153847 [0,3,0,0,0,0|1,0,0]=4 6053 B12R1.3862 CNC1(CCCCC1)CC(=O)O 269956a_100000723940_200000210301 [0,3,0,0,0,0|1,0,0]=4 6054 B12R1.3862 [13CH3]NC1(CCCCC1)CC(=O)O 269956a_100000723940_200025704644 [0,3,0,0,0,0|1,0,0]=4 6055 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,1,1,0,0|1,0,0]=4 6056 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,1,1,0,0|1,0,0]=4 6057 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,1,1,0,0|1,0,0]=4 6058 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,1,1,0,0|1,0,0]=4 6059 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,1,1,0,0|1,0,0]=4 6060 B8R1.33 CCC(OC)C1CC1 34a_100011351122_200000210301 [1,0,1,1,0,0|0,0,1]=4 6061 B8R1.33 CCC(OC)C1CC1 7a_100011351122_200000210301 [1,0,1,1,0,0|0,0,1]=4 6062 B8R1.33 CCC(O[13CH3])C1CC1 34a_100011351122_200025704644 [1,0,1,1,0,0|0,0,1]=4 6063 B8R1.33 CCC(O[13CH3])C1CC1 7a_100011351122_200025704644 [1,0,1,1,0,0|0,0,1]=4 6064 B10R1.168 CCN1CC(C1)OC(=O)C 269982a_100016994906_100000204670 [0,1,1,1,0,0|1,0,0]=4 6065 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,1,1,1,0,0|1,0,0]=4 6066 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,1,1,1,0,0|1,0,0]=4 6067 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,1,1,1,0,0|1,0,0]=4 6068 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,1,1,1,0,0|1,0,0]=4 6069 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,1,1,1,0,0|1,0,0]=4 6070 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,1,1,1,0,0|1,0,0]=4 6071 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,1,1,1,0,0|1,0,0]=4 6072 B10R1.266 CC(=O)OC(C)N1CCC1 269982a_100000754969_100009818208 [0,1,1,1,0,0|1,0,0]=4 6073 B10R1.268 CC(=O)OC(C)SC1CC1 62a_100009818208_100000211595 [0,1,1,1,0,0|1,0,0]=4 6074 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,1,1,0,0|1,0,0]=4 6075 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,1,1,0,0|1,0,0]=4 6076 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,1,1,0,0|1,0,0]=4 6077 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,1,1,0,0|1,0,0]=4 6078 B10R1.178 C=CCOC(C)C1CCC1 34a_100000766398_100015514636 [0,1,1,1,0,0|1,0,0]=4 6079 B10R1.178 C=CCOC(C)C1CCC1 7a_100000766398_100015514636 [0,1,1,1,0,0|1,0,0]=4 6080 B10R1.178 CC(NCC=O)C1CCC1 2230a_100016994624_200015260668 [0,1,1,1,0,0|1,0,0]=4 6081 B10R1.178 CC(NCC=O)C1CCC1 34a_100016994624_200009817547 [0,1,1,1,0,0|1,0,0]=4 6082 B10R1.178 CC(OCC=O)C1CCC1 34a_100000766398_200009817547 [0,1,1,1,0,0|0,0,0]=3 6083 B10R1.178 CC(OCC=O)C1CCC1 7a_100000766398_200015260668 [0,1,1,1,0,0|0,0,0]=3 6084 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,1,1,1,0,0|0,0,1]=4 6085 B10R1.59 CC1CC(C(=O)O1)N(C)C 2230a_100102631434_200000216747 [0,1,1,1,0,0|1,0,0]=4 6086 B10R1.59 CC1CC(C(=O)O1)N(C)C 269982a_100102631434_200000216747 [0,1,1,1,0,0|1,0,0]=4 6087 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,1,1,0,0|1,0,0]=4 6088 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,1,1,0,0|1,0,0]=4 6089 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,1,1,0,0|1,0,0]=4 6090 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,1,1,0,0|1,0,0]=4 6091 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,1,1,0,0|1,0,0]=4 6092 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,1,1,0,0|1,0,0]=4 6093 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,1,1,1,0,0|1,0,0]=4 6094 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,1,1,1,0,0|1,0,0]=4 6095 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,1,1,1,0,0|1,0,0]=4 6096 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,1,1,1,0,0|1,0,0]=4 6097 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,1,1,1,0,0|1,0,0]=4 6098 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,1,1,1,0,0|1,0,0]=4 6099 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,1,1,1,0,0|1,0,0]=4 6100 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,1,1,1,0,0|1,0,0]=4 6101 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,1,1,0,0|1,0,0]=4 6102 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,1,1,0,0|1,0,0]=4 6103 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,1,1,0,0|1,0,0]=4 6104 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,1,1,0,0|1,0,0]=4 6105 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,1,1,1,0,0|1,0,0]=4 6106 B10R1.177 C=COCCCNC1CC1 34a_100000210767_100000211595 [0,1,1,1,0,0|1,0,0]=4 6107 B10R1.177 C=COCCNCC1CC1 2230a_100000735609_100000039644 [0,1,1,1,0,0|1,0,0]=4 6108 B10R1.177 C=COCCNCC1CC1 34a_100000735609_100000039644 [0,1,1,1,0,0|1,0,0]=4 6109 B10R1.177 C=COCCOCC1CC1 34a_100000033082_100000742324 [0,1,1,1,0,0|1,0,0]=4 6110 B10R1.177 C=COCCOCC1CC1 34a_100000211283_100000039644 [0,1,1,1,0,0|1,0,0]=4 6111 B10R1.177 C=COCCSCC1CC1 62a_100000039644_100000742324 [0,1,1,1,0,0|1,0,0]=4 6112 B10R1.177 C=COCCSCC1CC1 62a_100000756562_100000039644 [0,1,1,1,0,0|1,0,0]=4 6113 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [0,1,1,1,0,0|1,0,0]=4 6114 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,1,1,1,0,0|1,0,0]=4 6115 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,1,1,1,0,0|1,0,0]=4 6116 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,1,1,1,0,0|1,0,0]=4 6117 B10R1.177 O=CCOCCNC1CC1 34a_100000738766_200009817547 [0,1,1,1,0,0|1,0,0]=4 6118 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,1,1,0,0|1,0,0]=4 6119 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,1,1,0,0|1,0,0]=4 6120 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,1,1,0,0|1,0,0]=4 6121 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,1,1,0,0|1,0,0]=4 6122 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,1,1,0,0|1,0,0]=4 6123 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,1,1,0,0|1,0,0]=4 6124 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,1,1,0,0|1,0,0]=4 6125 B10R1.37 C=COCCN1CCC1C 269982a_100000755817_100000039644 [0,1,1,1,0,0|1,0,0]=4 6126 B10R1.37 C=COCCN1CCC1C 34a_100000755817_100000039644 [0,1,1,1,0,0|1,0,0]=4 6127 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,1,1,1,0,0|1,0,0]=4 6128 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,1,1,0,0|1,0,0]=4 6129 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,1,1,0,0|1,0,0]=4 6130 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,1,1,0,0|1,0,0]=4 6131 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,1,1,0,0|1,0,0]=4 6132 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,1,1,0,0|1,0,0]=4 6133 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,1,1,0,0|1,0,0]=4 6134 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,1,1,0,0|1,0,0]=4 6135 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,1,1,0,0|1,0,0]=4 6136 B10R1.57 C=COCCNC1CCC1 2230a_100000749019_100000039644 [0,1,1,1,0,0|1,0,0]=4 6137 B10R1.57 C=COCCNC1CCC1 34a_100000749019_100000039644 [0,1,1,1,0,0|1,0,0]=4 6138 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [0,1,1,1,0,0|1,0,0]=4 6139 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [0,1,1,1,0,0|1,0,0]=4 6140 B10R1.57 C=COCCSC1CCC1 62a_100000039644_100000749161 [0,1,1,1,0,0|1,0,0]=4 6141 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [0,1,1,1,0,0|1,0,0]=4 6142 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,1,1,1,0,0|1,0,0]=4 6143 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,1,1,1,0,0|1,0,0]=4 6144 B10R1.57 O=CCOCCC1COC1 34a_100009855314_200009817547 [0,1,1,1,0,0|1,0,0]=4 6145 B10R1.374 CCC(NC(=O)C)C1CC1 11a_100025715781_100015343762 [0,1,1,1,0,0|1,0,0]=4 6146 B10R1.374 CCC(NC(=O)C)C1CC1 1626a_100025715781_100015343762 [0,1,1,1,0,0|1,0,0]=4 6147 B10R1.374 CCC(NC(=O)C)C1CC1 240690a_100025715781_100015343762 [0,1,1,1,0,0|1,0,0]=4 6148 B10R1.374 CCC(NC(=O)C)C1CC1 527a_100025715781_100103153847 [0,1,1,1,0,0|1,0,0]=4 6149 B10R1.394 CCCC1(CC1)NC(=O)C 11a_100015185929_100015343762 [0,1,1,1,0,0|1,0,0]=4 6150 B10R1.394 CCCC1(CC1)NC(=O)C 1626a_100015185929_100015343762 [0,1,1,1,0,0|1,0,0]=4 6151 B10R1.394 CCCC1(CC1)NC(=O)C 240690a_100015185929_100015343762 [0,1,1,1,0,0|1,0,0]=4 6152 B10R1.394 CCCC1(CC1)NC(=O)C 527a_100015185929_100103153847 [0,1,1,1,0,0|1,0,0]=4 6153 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [1,1,0,1,0,0|1,0,0]=4 6154 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [1,1,0,1,0,0|1,0,0]=4 6155 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [1,1,0,1,0,0|1,0,0]=4 6156 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [1,1,0,1,0,0|1,0,0]=4 6157 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [1,1,0,1,0,0|1,0,0]=4 6158 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [1,1,0,1,0,0|1,0,0]=4 6159 B12R2.165 O=CCN1C2CCC1COC2 2230a_100015205251_200015260668 [0,1,0,1,0,1|1,0,0]=4 6160 B12R2.165 O=CCN1C2CCC1COC2 269982a_100015205251_200015260668 [0,1,0,1,0,1|1,0,0]=4 6161 B12R2.165 O=CCN1C2CCC1COC2 34a_100015205251_200009817547 [0,1,0,1,0,1|1,0,0]=4 6162 B12R2.1365 CC(=O)N1C2CCC1COC2 11a_100015205251_100015343762 [0,1,0,1,0,1|1,0,0]=4 6163 B12R2.1365 CC(=O)N1C2CCC1COC2 1626a_100015205251_100015343762 [0,1,0,1,0,1|1,0,0]=4 6164 B12R2.1365 CC(=O)N1C2CCC1COC2 240690a_100015205251_100015343762 [0,1,0,1,0,1|1,0,0]=4 6165 B12R2.1365 CC(=O)N1C2CCC1COC2 527a_100015205251_100103153847 [0,1,0,1,0,1|1,0,0]=4 6166 B12R2.186 O=CCN1CC2CCC1CC2 2230a_100000750499_200015260668 [0,2,0,1,0,0|1,0,0]=4 6167 B12R2.186 O=CCN1CC2CCC1CC2 269982a_100000750499_200015260668 [0,2,0,1,0,0|1,0,0]=4 6168 B12R2.186 O=CCN1CC2CCC1CC2 34a_100000750499_200009817547 [0,2,0,1,0,0|1,0,0]=4 6169 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [0,2,0,1,0,0|1,0,0]=4 6170 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [0,2,0,1,0,0|1,0,0]=4 6171 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [0,2,0,1,0,0|1,0,0]=4 6172 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [0,2,0,1,0,0|1,0,0]=4 6173 B12R2.2336 C=CCOC1CC2CCC1C2 34a_100000211339_100015514636 [0,2,0,1,0,0|1,0,0]=4 6174 B12R2.2336 C=CCOC1CC2CCC1C2 34a_200000210373_100000727232 [0,2,0,1,0,0|1,0,0]=4 6175 B12R2.2336 O=CCNC1CC2CCC1C2 2230a_100000758229_200015260668 [0,2,0,1,0,0|1,0,0]=4 6176 B12R2.2336 O=CCNC1CC2CCC1C2 34a_100000758229_200009817547 [0,2,0,1,0,0|1,0,0]=4 6177 B12R2.2336 O=CCOC1CC2CCC1C2 34a_100000211339_200009817547 [0,2,0,1,0,0|0,0,0]=3 6178 B12R2.2336 O=CCSC1CC2CCC1C2 62a_100000727232_200015260668 [0,2,0,1,0,0|0,1,0]=4 6179 B12R2.2336 O=CCSC1CC2CCC1C2 62a_200015260668_100000727232 [0,2,0,1,0,0|0,1,0]=4 6180 B12R2.1661 CC(=O)CC1CC2CCC1C2 1458a_100000211222_200000210301 [0,2,0,1,0,0|1,0,0]=4 6181 B12R2.1661 CC(=O)NC1CC2CCC1C2 11a_100000758229_100015343762 [0,2,0,1,0,0|1,0,0]=4 6182 B12R2.1661 CC(=O)NC1CC2CCC1C2 1626a_100000758229_100015343762 [0,2,0,1,0,0|1,0,0]=4 6183 B12R2.1661 CC(=O)NC1CC2CCC1C2 240690a_100000758229_100015343762 [0,2,0,1,0,0|1,0,0]=4 6184 B12R2.1661 CC(=O)NC1CC2CCC1C2 527a_100000758229_100103153847 [0,2,0,1,0,0|1,0,0]=4 6185 B12R2.1661 [13CH3]C(=O)CC1CC2CCC1C2 1458a_100000211222_200025704644 [0,2,0,1,0,0|1,0,0]=4 6186 B12R2.264 C=CCOC1C2CCC1CC2 34a_200000210373_100009813300 [0,2,0,1,0,0|1,0,0]=4 6187 B12R2.264 O=CCSC1C2CCC1CC2 62a_100009813300_200015260668 [0,2,0,1,0,0|0,1,0]=4 6188 B12R2.264 O=CCSC1C2CCC1CC2 62a_200015260668_100009813300 [0,2,0,1,0,0|0,1,0]=4 6189 B12R2.1435 O=CCOCC1C2C1CNC2 34a_100000045132_200009817547 [0,2,0,1,0,0|1,0,0]=4 6190 B12R2.1974 C/C=C/COC1CCC2C1C2 34a_200012295571_100102629194 [0,2,0,1,0,0|1,0,0]=4 6191 B12R2.1974 C=CCCOC1CCC2C1C2 34a_200012295571_100000754431 [0,2,0,1,0,0|1,0,0]=4 6192 B12R2.1974 CC=CCOC1CCC2C1C2 34a_200012295571_100000070051 [0,2,0,1,0,0|1,0,0]=4 6193 B12R2.1561 C=CC(=O)N1C2CCC1CC2 1626a_100000735658_100000185746 [0,2,0,1,0,0|1,0,0]=4 6194 B12R2.1561 C=CC(=O)N1C2CCC1CC2 240690a_100000735658_200121576911 [0,2,0,1,0,0|1,0,0]=4 6195 B12R2.1561 CCC(=O)N1C2CCC1CC2 11a_100000735658_100000210414 [0,2,0,1,0,0|1,0,0]=4 6196 B12R2.1561 CCC(=O)N1C2CCC1CC2 1626a_100000735658_100000210414 [0,2,0,1,0,0|1,0,0]=4 6197 B12R2.1561 CCC(=O)N1C2CCC1CC2 240690a_100000735658_100000210414 [0,2,0,1,0,0|1,0,0]=4 6198 B12R2.1561 CCC(=O)N1C2CCC1CC2 527a_100000735658_100000210414 [0,2,0,1,0,0|1,0,0]=4 6199 B12R2.1561 CNC(=O)N1C2CCC1CC2 2708a_100102657272_100000735658 [0,2,0,1,0,0|1,0,0]=4 6200 B12R2.1561 CNC(=O)N1C2CCC1CC2 273464a_100102657272_100000735658 [0,2,0,1,0,0|1,0,0]=4 6201 B12R2.1561 O=C(CO)N1C2CCC1CC2 240690a_100000735658_100000210174 [0,2,0,1,0,0|1,0,0]=4 6202 B12R2.1561 O=C(CO)N1C2CCC1CC2 527a_100000735658_100000210174 [0,2,0,1,0,0|1,0,0]=4 6203 B12R2.1367 NC(=O)CN1C2CCC1CC2 2230a_100000735658_100000747473 [0,2,0,1,0,0|1,0,0]=4 6204 B12R2.1367 NC(=O)CN1C2CCC1CC2 269982a_100000735658_100000187820 [0,2,0,1,0,0|1,0,0]=4 6205 B12R2.1367 NC(=O)CN1C2CCC1CC2 34a_100000735658_100000187820 [0,2,0,1,0,0|1,0,0]=4 6206 B12R2.1367 O=C([O-])CN1C2CCC1CC2 269982a_100000735658_100020667443 [0,2,0,1,0,0|1,0,0]=4 6207 B12R2.1367 O=C([O-])CN1C2CCC1CC2 34a_100000735658_100020667443 [0,2,0,1,0,0|1,0,0]=4 6208 B12R2.1381 CC(=O)OCN1CC2CC2C1 269982a_100000741873_100000076356 [0,2,0,1,0,0|1,0,0]=4 6209 B12R2.1381 CC(=O)OCN1CC2CC2C1 34a_100000741873_100009813279 [0,2,0,1,0,0|1,0,0]=4 6210 B12R2.5266 C=C(C)COC1CCC2C1C2 34a_200012295571_100000748629 [0,2,0,1,0,0|1,0,0]=4 6211 B12R2.5266 C=C(F)COC1CCC2C1C2 34a_200012295571_100009893438 [0,2,0,1,0,0|1,0,0]=4 6212 B12R2.5266 NC(=O)COC1CCC2C1C2 34a_200012295571_100000187820 [0,2,0,1,0,0|0,0,0]=3 6213 B12R2.5266 O=C([O-])COC1CCC2C1C2 34a_200012295571_100020667443 [0,2,0,1,0,0|0,0,0]=3 6214 B12R2.5266 O=[N+]([O-])COC1CCC2C1C2 34a_200012295571_100000761209 [0,2,0,1,0,0|0,0,1]=4 6215 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,0,2,0|0,0,1]=4 6216 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,0,2,0|0,0,1]=4 6217 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,0,2,0|0,0,1]=4