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 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,0,0,0,0,0|1,0,3]=4 9 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,0,0,0,0,0|1,0,1]=2 12 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,0,0,0,0,0|1,0,1]=2 89 B9R1.8 FCNC1CCCOC1 34a_100000719290_100015361967 [0,0,0,0,0,0|2,0,1]=3 90 B9R1.8 FCNC1CCOCC1 34a_100000741149_100015361967 [0,0,0,0,0,0|2,0,1]=3 91 B9R1.8 FCNC1CCSCC1 34a_100000748639_100015361967 [0,0,0,0,0,0|2,0,1]=3 92 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,0,0,0,0,0|2,0,1]=3 93 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,0,0,0,0,0|2,0,1]=3 94 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [0,0,0,0,0,0|3,0,1]=4 96 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,0,0,0,0,0|3,0,1]=4 98 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,0,0,0,0,0|3,0,1]=4 99 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,0,0,0,0,0|2,0,1]=3 101 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,0,0,0,0,0|2,0,1]=3 102 B9R1.8 FCSC1CCCOC1 62a_100015361967_100000693364 [0,0,0,0,0,0|3,0,1]=4 103 B9R1.8 FCSC1CCOCC1 62a_100015361967_100011324220 [0,0,0,0,0,0|3,0,1]=4 104 B9R1.8 FCSC1CCSCC1 62a_100015361967_100000069128 [0,0,0,0,0,0|3,0,1]=4 105 B9R1.8 O=CCN1CC=CCC1 2230a_100000698166_200015260668 [0,0,0,0,0,0|2,0,2]=4 106 B9R1.8 O=CCN1CC=CCC1 269982a_100000698166_200015260668 [0,0,0,0,0,0|2,0,2]=4 107 B9R1.8 O=CCN1CC=CCC1 34a_100000698166_200009817547 [0,0,0,0,0,0|2,0,2]=4 108 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [0,0,0,0,0,0|3,0,0]=3 110 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [0,0,0,0,0,0|3,0,0]=3 111 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [0,0,0,0,0,0|3,0,0]=3 112 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [0,0,0,0,0,0|3,0,0]=3 115 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [0,0,0,0,0,0|3,0,0]=3 116 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,0,0,0,0,0|3,0,0]=3 117 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,0,0,0,0,0|4,0,0]=4 124 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,0,0,0,0,0|3,0,0]=3 127 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,0,0,0,0,0|4,0,0]=4 131 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,0,0,0,0,0|4,0,0]=4 135 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,0,0,0,0,0|4,0,0]=4 137 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,0,0,0,0,0|3,0,0]=3 138 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,0,0,0,0,0|3,0,0]=3 139 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,0,0,0,0|4,0,0]=4 140 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,0,0,0,0,0|4,0,0]=4 142 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,0,0,0,0,0|4,0,0]=4 144 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,0,0,0,0,0|4,0,0]=4 145 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,0,0,0|0,0,3]=4 146 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,0,0,0|0,0,3]=4 147 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,0,0,0|0,0,1]=2 148 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,0,0,0|0,0,1]=2 149 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,0,0,0|0,0,1]=2 150 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,0,0,0|0,0,1]=2 151 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,0,0,0|0,0,1]=2 152 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,0,0,0|1,0,1]=3 153 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,0,0,0|1,0,1]=3 154 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,0,0,0|1,0,1]=3 155 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,0,0,0|1,0,1]=3 156 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,0,0,0|1,0,1]=3 157 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,0,0,0|1,0,1]=3 158 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,0,0,0,0,0|1,0,1]=3 159 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,0,0,0|1,0,1]=3 160 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,0,0,0|1,0,1]=3 161 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,0,0,0|1,0,1]=3 162 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,0,0,0|1,0,1]=3 163 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,0,0,0,0,0|1,0,1]=3 164 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,0,0,0,0,0|1,0,1]=3 165 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,0,0,0,0,0|1,0,1]=3 166 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,0,0,0,0,0|1,0,1]=3 167 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,0,0,0,0,0|1,0,1]=3 168 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,0,0,0|1,0,1]=3 169 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,0,0,0|1,0,1]=3 170 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,0,0,0|1,0,1]=3 171 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,0,0,0|2,0,1]=4 174 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,0,0,0|2,0,1]=4 175 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,0,0,0|2,0,1]=4 177 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,0,0,0|2,0,1]=4 178 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,0,0,0|2,0,1]=4 179 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,0,0,0|1,0,1]=3 180 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,0,0,0|1,0,1]=3 181 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,0,0,0|2,0,1]=4 182 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,0,0,0|2,0,1]=4 183 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,0,0,0|2,0,1]=4 184 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,0,0,0|0,0,1]=2 185 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,0,0,0|0,0,1]=2 186 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,0,0,0|1,0,1]=3 187 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,0,0,0|1,0,1]=3 188 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,0,0,0|1,0,1]=3 189 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,0,0,0|1,0,1]=3 190 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,0,0,0,0,0|1,0,1]=3 191 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,0,0,0,0,0|1,0,1]=3 192 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,0,0,0|1,0,1]=3 193 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,0,0,0|1,0,1]=3 194 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,0,0,0|2,0,1]=4 195 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,0,0,0|2,0,1]=4 196 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,0,0,0|2,0,1]=4 197 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,0,0,0|2,0,1]=4 198 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,0,0,0|2,0,1]=4 199 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,0,0,0|2,0,1]=4 200 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,0,0,0|1,0,1]=3 201 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,0,0,0|1,0,1]=3 202 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,0,0,0|2,0,1]=4 203 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,0,0,0|2,0,1]=4 204 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,1,0,0,0,0|1,0,2]=4 206 B10R1.1 C=C1CCN(CC1)CC=O 2230a_100000752442_200015260668 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.1 C=C1CCN(CC1)CC=O 269982a_100000752442_200015260668 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.1 C=C1CCN(CC1)CC=O 34a_100000752442_200009817547 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.1 C=CCN1CCC(CC1)C 2230a_100000188429_100000210623 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.1 C=CCN1CCC(CC1)C 269982a_100000188429_100000210623 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.1 C=CCN1CCC(CC1)C 34a_100000188429_100015514636 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.1 C=CCN1CCC(CC1)F 2230a_100015193889_100000210623 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.1 C=CCN1CCC(CC1)F 269982a_100015193889_100000210623 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.1 C=CCN1CCC(CC1)F 34a_100015193889_100015514636 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.1 C=CCN1CCC(CC1)O 2230a_100025773856_100000210623 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.1 C=CCN1CCC(CC1)O 269982a_100025773856_100000210623 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.1 CC1CCC(CC1)SCF 62a_100015361967_200011216234 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.1 CC1CCN(CC1)CC=O 2230a_100000188429_200015260668 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.1 CC1CCN(CC1)CC=O 269982a_100000188429_200015260668 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.1 CC1CCN(CC1)CC=O 34a_100000188429_200009817547 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,1,0,0,0,0|1,0,1]=3 227 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.1 CCNC1CCN(CC1)C 270004a_100015525214_100000210137 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.1 CN1CCN(CC1)CC=O 2230a_100000188432_200015260668 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.1 CN1CCN(CC1)CC=O 269982a_100000188432_200015260668 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.1 C[C@H]1CC[C@@H](CC1)NCF 34a_100020625639_100015361967 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.1 N[C@H]1CC[C@H](CC1)OCF 34a_100020628982_100015361967 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.1 O=CCN1CCC(CC1)F 2230a_100015193889_200015260668 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.1 O=CCN1CCC(CC1)F 269982a_100015193889_200015260668 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.1 O=CCN1CCC(CC1)F 34a_100015193889_200009817547 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.1 O=CCN1CCC(CC1)O 2230a_100025773856_200015260668 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.1 O=CCN1CCC(CC1)O 269982a_100025773856_200015260668 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.1 O=CCN1CCS(=O)CC1 2230a_100000752083_200015260668 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.1 O=CCN1CCS(=O)CC1 269982a_100000752083_200015260668 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [0,1,0,0,0,0|1,0,1]=3 256 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,1,0,0,0,0|1,0,1]=3 262 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,1,0,0,0,0|1,0,1]=3 263 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,1,0,0,0,0|1,0,1]=3 264 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.4 CCNC1CCNCC1C 270004a_100015525214_100000703950 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.4 CCNC1CCOCC1C 270004a_100015525214_100000755695 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,1,0,0,0,0|1,0,1]=3 268 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,1,0,0,0,0|1,0,1]=3 269 B10R1.4 CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210202 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.4 CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210202 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.4 CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000210202 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,1,0,0,0,0|2,0,1]=4 280 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [0,1,0,0,0,0|2,0,1]=4 283 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [0,1,0,0,0,0|2,0,1]=4 284 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.4 FCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015361967 [0,1,0,0,0,0|1,0,1]=3 291 B10R1.4 FCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100015361967 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.4 FCOC1CCCCC1Cl 34a_100000038908_100015361967 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.4 FCOC1CCCCC1Cl 7a_100000038908_100015361967 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015361967 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015361967 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.4 FCSC1CCCCC1F 62a_100015361967_100015423560 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.4 FCSC1CCCCC1F 62a_100015423560_100015361967 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.4 N[C@@H]1CCCC[C@@H]1OCF 34a_100015191688_100015361967 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.4 OC1CCCCC1SCF 62a_100000038908_100015361967 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.4 OC1CCCCC1SCF 62a_100015361967_100000038908 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.10 C=CCN1CCCC(C1)F 2230a_100000697950_100000210623 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.10 C=CCN1CCCC(C1)F 269982a_100000697950_100000210623 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.10 C=CCN1CCCC(C1)F 34a_100000697950_100015514636 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.10 C=CCN1CCCC(C1)O 2230a_100000211013_100000210623 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.10 C=CCN1CCCC(C1)O 269982a_100000211013_100000210623 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.10 C=CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210623 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.10 C=CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210623 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.10 C=CCN1CCC[C@@H](C1)C 34a_100000717927_100015514636 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [0,1,0,0,0,0|1,0,1]=3 311 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.10 CC1CN(CCO1)CC=O 2230a_100000729577_200015260668 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.10 CC1CN(CCO1)CC=O 269982a_100000729577_200015260668 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.10 CC1CN(CCO1)CC=O 34a_100000729577_200009817547 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,1,0,0,0,0|1,0,1]=3 316 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,1,0,0,0,0|1,0,1]=3 317 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,1,0,0,0,0|1,0,1]=3 318 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,1,0,0,0,0|1,0,1]=3 319 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,1,0,0,0,0|1,0,1]=3 320 B10R1.10 CCNC1CCN[C@@H](C1)C 270004a_100015525214_100016994030 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.10 CCNC1CCOC(C1)C 270004a_100015525214_100000755752 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.10 C[C@H]1CCCN(C1)CC=O 2230a_100000717927_200015260668 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.10 C[C@H]1CCCN(C1)CC=O 269982a_100000717927_200015260668 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.10 C[C@H]1CCCN(C1)CC=O 34a_100000717927_200009817547 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.10 O=CCN1CCCC(C1)F 2230a_100000697950_200015260668 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.10 O=CCN1CCCC(C1)F 269982a_100000697950_200015260668 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.10 O=CCN1CCCC(C1)F 34a_100000697950_200009817547 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.10 O=CCN1CCCC(C1)O 2230a_100000211013_200015260668 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.10 O=CCN1CCCC(C1)O 269982a_100000211013_200015260668 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.10 O=CCN1CCOC(C1)O 2230a_100000688207_200015260668 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.10 O=CCN1CCOC(C1)O 269982a_100000688207_200015260668 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,0,0,0|2,0,1]=4 342 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,1,0,0,0,0|1,0,1]=3 344 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,1,0,0,0,0|1,0,1]=3 345 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,1,0,0,0,0|1,0,1]=3 346 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,1,0,0,0,0|1,0,1]=3 347 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,1,0,0,0,0|1,0,1]=3 348 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,1,0,0,0,0|1,0,1]=3 349 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,1,0,0,0,0|1,0,1]=3 350 B10R1.15 CCN(C)C1CCCOC1 269982a_100000225621_100000693364 [0,1,0,0,0,0|2,0,1]=4 351 B10R1.15 CCN(C)C1CCOCC1 2230a_100011324086_200000210301 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.15 CCN(C)C1CCOCC1 2230a_100020587155_100000210202 [0,1,0,0,0,0|2,0,1]=4 353 B10R1.15 CCN(C)C1CCOCC1 269982a_100000225621_100011324220 [0,1,0,0,0,0|2,0,1]=4 354 B10R1.15 CCN(C)C1CCOCC1 269982a_100011324086_200000210301 [0,1,0,0,0,0|2,0,1]=4 355 B10R1.15 CCN(C)C1CCOCC1 269982a_100020587155_100000204670 [0,1,0,0,0,0|2,0,1]=4 356 B10R1.15 CCN(C)C1CCOCC1 34a_100011324086_200000210301 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.15 CCN(C)C1CCOCC1 34a_100020587155_100000210202 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.15 CCN(C)C1CCSCC1 2230a_100015184757_100000210202 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.15 CCN(C)C1CCSCC1 269982a_100000225621_100000069128 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.15 CCN(C)C1CCSCC1 269982a_100015184757_100000204670 [0,1,0,0,0,0|2,0,1]=4 361 B10R1.15 CCN(C)C1CCSCC1 34a_100015184757_100000210202 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,1,0,0,0,0|1,0,1]=3 363 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,1,0,0,0,0|1,0,1]=3 364 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,1,0,0,0,0|1,0,1]=3 365 B10R1.15 CCN([13CH3])C1CCOCC1 2230a_100011324086_200025704644 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.15 CCN([13CH3])C1CCOCC1 269982a_100011324086_200025704644 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.15 CCN([13CH3])C1CCOCC1 34a_100011324086_200025704644 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.15 CN(CF)C1CCCCC1 269982a_100000207522_100015361967 [0,1,0,0,0,0|1,0,1]=3 369 B10R1.15 CN(CF)C1CCCCC1 34a_100000207522_100015361967 [0,1,0,0,0,0|1,0,1]=3 370 B10R1.15 CN(CF)C1CCOCC1 269982a_100020587155_100015361967 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.15 CN(CF)C1CCOCC1 34a_100020587155_100015361967 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.15 CN(CF)C1CCSCC1 269982a_100015184757_100015361967 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.15 CN(CF)C1CCSCC1 34a_100015184757_100015361967 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,0,0,0|2,0,1]=4 386 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,0|1,0,2]=4 387 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,1,0,0,0,0|2,0,1]=4 388 B10R1.17 C#CCNC1CCCCC1 2230a_100000182618_100000038162 [0,1,0,0,0,0|1,0,1]=3 389 B10R1.17 C#CCNC1CCCCC1 34a_100000182618_100000184674 [0,1,0,0,0,0|1,0,1]=3 390 B10R1.17 C#CCNC1CCCCC1 34a_100000212058_100000210327 [0,1,0,0,0,0|1,0,1]=3 391 B10R1.17 C#CCNC1CCCOC1 2230a_100000719290_100000038162 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.17 C#CCNC1CCCOC1 34a_100000212058_100000693364 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.17 C#CCNC1CCCOC1 34a_100000719290_100000184674 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.17 C#CCNC1CCOCC1 2230a_100000741149_100000038162 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.17 C#CCNC1CCOCC1 34a_100000741149_100000184674 [0,1,0,0,0,0|2,0,1]=4 396 B10R1.17 C#CCNC1CCSCC1 2230a_100000748639_100000038162 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.17 C#CCNC1CCSCC1 34a_100000212058_100000069128 [0,1,0,0,0,0|2,0,1]=4 398 B10R1.17 C#CCNC1CCSCC1 34a_100000748639_100000184674 [0,1,0,0,0,0|2,0,1]=4 399 B10R1.17 C#CCOC1CCCCC1 34a_100000210231_100000184674 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.17 C#CCOC1CCCCC1 34a_100000210247_100000210327 [0,1,0,0,0,0|2,0,1]=4 401 B10R1.17 C#CCOC1CCCCC1 7a_100000210231_100000038162 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.17 C#CCSC1CCCCC1 62a_100000038162_100000210327 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.17 C=CCNC1C=CCCC1 2230a_100020586998_100000751183 [0,1,0,0,0,0|1,0,2]=4 404 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [0,1,0,0,0,0|1,0,0]=2 405 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [0,1,0,0,0,0|1,0,0]=2 406 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [0,1,0,0,0,0|1,0,0]=2 407 B10R1.17 C=CCNC1CCCOC1 2230a_100000719290_100000210623 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.17 C=CCNC1CCCOC1 270004a_100020586998_100000753404 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.17 C=CCNC1CCCOC1 34a_100000719290_100015514636 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.17 C=CCNC1CCCSC1 270004a_100020586998_100000057913 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.17 C=CCNC1CCNCC1 270004a_100020586998_100015192401 [0,1,0,0,0,0|2,0,0]=3 412 B10R1.17 C=CCNC1CCOCC1 2230a_100000741149_100000210623 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.17 C=CCNC1CCOCC1 270004a_100020586998_100011217826 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.17 C=CCNC1CCOCC1 34a_100000741149_100015514636 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.17 C=CCNC1CCSCC1 2230a_100000748639_100000210623 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.17 C=CCNC1CCSCC1 270004a_100020586998_100000203788 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.17 C=CCNC1CCSCC1 34a_100000748639_100015514636 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.17 C=CCOC1CCCOC1 34a_100000754041_100015514636 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.17 C=CCOC1CCCOC1 34a_200000210373_100000693364 [0,1,0,0,0,0|3,0,0]=4 424 B10R1.17 C=CCOC1CCCSC1 7a_100015962668_100015514636 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.17 C=CCOC1CCOCC1 34a_100000744328_100015514636 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.17 C=CCOC1CCSCC1 34a_100000731022_100015514636 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.17 C=CCOC1CCSCC1 34a_200000210373_100000069128 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.17 C=CCOC1CCSCC1 7a_100000731022_100015514636 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [0,1,0,0,0,0|2,0,0]=3 430 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [0,1,0,0,0,0|2,0,0]=3 431 B10R1.17 C=CCSC1CCCOC1 62a_100000210623_100000693364 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.17 C=CCSC1CCOCC1 62a_100000210623_100011324220 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.17 C=CCSC1CCSCC1 62a_100000210623_100000069128 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [0,1,0,0,0,0|1,0,0]=2 435 B10R1.17 CC=NNC1CCOCC1 4a_100000687383_200000210099 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,1,0,0,0,0|1,0,1]=3 437 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,1,0,0,0,0|1,0,1]=3 438 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,1,0,0,0,0|1,0,1]=3 439 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [0,1,0,0,0,0|2,0,1]=4 440 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [0,1,0,0,0,0|2,0,1]=4 442 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.17 CCCNC1CCNCC1 270004a_100020643023_100015192401 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [0,1,0,0,0,0|2,0,1]=4 445 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [0,1,0,0,0,0|2,0,1]=4 447 B10R1.17 CCCNC1CCSCC1 2230a_100000748639_100000210303 [0,1,0,0,0,0|2,0,1]=4 448 B10R1.17 CCCNC1CCSCC1 270004a_100020643023_100000203788 [0,1,0,0,0,0|2,0,1]=4 449 B10R1.17 CCCNC1CCSCC1 34a_100000748639_100000210303 [0,1,0,0,0,0|2,0,1]=4 450 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,1,0,0,0,0|2,0,1]=4 452 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,1,0,0,0,0|2,0,1]=4 453 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,1,0,0,0,0|2,0,1]=4 454 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,1,0,0,0,0|2,0,1]=4 455 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,1,0,0,0,0|1,0,1]=3 456 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,1,0,0,0,0|1,0,1]=3 457 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,1,0,0,0,0|1,0,1]=3 458 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,1,0,0,0,0|1,0,1]=3 459 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,1,0,0,0,0|2,0,1]=4 460 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,1,0,0,0,0|2,0,1]=4 461 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [0,1,0,0,0,0|2,0,1]=4 466 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [0,1,0,0,0,0|2,0,1]=4 469 B10R1.17 CCNCC1CCSCC1 2230a_100015188806_100000210202 [0,1,0,0,0,0|2,0,1]=4 470 B10R1.17 CCNCC1CCSCC1 269862a_100015525214_100000067145 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.17 CCNCC1CCSCC1 270004a_100015525214_100000067145 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.17 CCNCC1CCSCC1 34a_100015188806_100000210202 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.17 CCNN=C1CCCCC1 4a_100000756455_100000210434 [0,1,0,0,0,0|1,0,2]=4 474 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,1,0,0,0,0|2,0,1]=4 475 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,1,0,0,0,0|2,0,1]=4 477 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,1,0,0,0,0|2,0,1]=4 478 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [0,1,0,0,0,0|2,0,1]=4 481 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [0,1,0,0,0,0|2,0,1]=4 483 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [0,1,0,0,0,0|2,0,1]=4 485 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [0,1,0,0,0,0|2,0,1]=4 488 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,1,0,0,0,0|1,0,2]=4 489 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,1,0,0,0,0|1,0,2]=4 490 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,1,0,0,0,0|1,0,2]=4 491 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,1,0,0,0,0|0,0,2]=3 492 B10R1.17 COCNC1CCCOC1 2230a_100000719290_100000766300 [0,1,0,0,0,0|1,0,2]=4 493 B10R1.17 COCNC1CCOCC1 2230a_100000741149_100000766300 [0,1,0,0,0,0|1,0,2]=4 494 B10R1.17 COCNC1CCSCC1 2230a_100000748639_100000766300 [0,1,0,0,0,0|1,0,2]=4 495 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,1,0,0,0,0|1,0,2]=4 496 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,1,0,0,0,0|1,0,2]=4 497 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,1,0,0,0,0|1,0,2]=4 498 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [0,1,0,0,0,0|1,1,1]=4 499 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [0,1,0,0,0,0|1,1,1]=4 500 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [0,1,0,0,0,0|0,1,1]=3 501 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [0,1,0,0,0,0|0,1,1]=3 502 B10R1.17 CSCNC1CCCOC1 2230a_100000719290_100011218213 [0,1,0,0,0,0|1,1,1]=4 503 B10R1.17 CSCNC1CCCOC1 34a_100000719290_100011218213 [0,1,0,0,0,0|1,1,1]=4 504 B10R1.17 CSCNC1CCOCC1 2230a_100000741149_100011218213 [0,1,0,0,0,0|1,1,1]=4 505 B10R1.17 CSCNC1CCOCC1 34a_100000741149_100011218213 [0,1,0,0,0,0|1,1,1]=4 506 B10R1.17 CSCNC1CCSCC1 2230a_100000748639_100011218213 [0,1,0,0,0,0|1,1,1]=4 507 B10R1.17 CSCNC1CCSCC1 34a_100000748639_100011218213 [0,1,0,0,0,0|1,1,1]=4 508 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [0,1,0,0,0,0|1,1,1]=4 509 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [0,1,0,0,0,0|1,1,1]=4 510 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [0,1,0,0,0,0|1,1,1]=4 511 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [0,1,0,0,0,0|1,1,1]=4 512 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [0,1,0,0,0,0|1,1,1]=4 513 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [0,1,0,0,0,0|1,0,1]=3 514 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [0,1,0,0,0,0|1,0,1]=3 515 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [0,1,0,0,0,0|1,0,1]=3 516 B10R1.17 FCCNC1CCCOC1 2230a_100000719290_100011217306 [0,1,0,0,0,0|2,0,1]=4 517 B10R1.17 FCCNC1CCCOC1 34a_100000719290_100011217306 [0,1,0,0,0,0|2,0,1]=4 518 B10R1.17 FCCNC1CCCOC1 34a_100000724931_100000693364 [0,1,0,0,0,0|2,0,1]=4 519 B10R1.17 FCCNC1CCOCC1 2230a_100000741149_100011217306 [0,1,0,0,0,0|2,0,1]=4 520 B10R1.17 FCCNC1CCOCC1 34a_100000741149_100011217306 [0,1,0,0,0,0|2,0,1]=4 521 B10R1.17 FCCNC1CCSCC1 2230a_100000748639_100011217306 [0,1,0,0,0,0|2,0,1]=4 522 B10R1.17 FCCNC1CCSCC1 34a_100000724931_100000069128 [0,1,0,0,0,0|2,0,1]=4 523 B10R1.17 FCCNC1CCSCC1 34a_100000748639_100011217306 [0,1,0,0,0,0|2,0,1]=4 524 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,1,0,0,0,0|2,0,1]=4 525 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,1,0,0,0,0|2,0,1]=4 526 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [0,1,0,0,0,0|2,0,1]=4 527 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [0,1,0,0,0,0|2,0,1]=4 528 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [0,1,0,0,0,0|1,0,1]=3 529 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [0,1,0,0,0,0|2,0,1]=4 530 B10R1.17 FCNCC1CCCOC1 34a_100000720124_100015361967 [0,1,0,0,0,0|2,0,1]=4 531 B10R1.17 FCNCC1CCOCC1 34a_100000746373_100015361967 [0,1,0,0,0,0|2,0,1]=4 532 B10R1.17 FCNCC1CCSCC1 34a_100015188806_100015361967 [0,1,0,0,0,0|2,0,1]=4 533 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,1,0,0,0,0|2,0,1]=4 534 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [0,1,0,0,0,0|2,0,1]=4 536 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.17 N#CCNC1CCCCC1 2230a_100000182618_100011215382 [0,1,0,0,0,0|1,0,1]=3 538 B10R1.17 N#CCNC1CCCOC1 2230a_100000719290_100011215382 [0,1,0,0,0,0|2,0,1]=4 539 B10R1.17 N#CCNC1CCOCC1 2230a_100000741149_100011215382 [0,1,0,0,0,0|2,0,1]=4 540 B10R1.17 N#CCNC1CCSCC1 2230a_100000748639_100011215382 [0,1,0,0,0,0|2,0,1]=4 541 B10R1.17 N#CCOC1CCCCC1 7a_100000210231_100011215382 [0,1,0,0,0,0|2,0,1]=4 542 B10R1.17 N#CCSC1CCCCC1 62a_100000210327_100011215382 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.17 N#CCSC1CCCCC1 62a_100011215382_100000210327 [0,1,0,0,0,0|2,0,1]=4 544 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,1,0,0,0,0|2,0,1]=4 545 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,1,0,0,0,0|0,0,0]=1 546 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,1,0,0,0,0|0,0,0]=1 547 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [0,1,0,0,0,0|1,0,0]=2 548 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [0,1,0,0,0,0|1,0,0]=2 549 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [0,1,0,0,0,0|1,0,0]=2 550 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [0,1,0,0,0,0|1,0,0]=2 551 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [0,1,0,0,0,0|1,0,0]=2 552 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [0,1,0,0,0,0|1,0,0]=2 553 B10R1.17 O=CCOC1C=CCCC1 34a_100011215024_200009817547 [0,1,0,0,0,0|1,0,2]=4 554 B10R1.17 O=CCOC1CC=CCC1 34a_100000073881_200009817547 [0,1,0,0,0,0|1,0,2]=4 555 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,1,0,0,0,0|1,0,0]=2 556 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,1,0,0,0,0|1,0,0]=2 557 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,1,0,0,0,0|2,0,0]=3 558 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [0,1,0,0,0,0|2,0,0]=3 559 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [0,1,0,0,0,0|2,0,0]=3 560 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [0,1,0,0,0,0|2,0,0]=3 561 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [0,1,0,0,0,0|2,0,0]=3 562 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [0,1,0,0,0,0|2,0,0]=3 563 B10R1.17 O=CCSC1C=CCCC1 62a_100000751183_200015260668 [0,1,0,0,0,0|1,0,2]=4 564 B10R1.17 O=CCSC1C=CCCC1 62a_200015260668_100000751183 [0,1,0,0,0,0|1,0,2]=4 565 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,1,0,0,0,0|1,0,0]=2 566 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,1,0,0,0,0|1,0,0]=2 567 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [0,1,0,0,0,0|2,0,0]=3 568 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [0,1,0,0,0,0|2,0,0]=3 569 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [0,1,0,0,0,0|2,0,0]=3 570 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,1,0,0,0,0|0,0,2]=3 571 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,1,0,0,0,0|0,0,2]=3 572 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,1,0,0,0,0|0,0,2]=3 573 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,1,0,0,0,0|0,0,2]=3 574 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [0,1,0,0,0,0|1,0,2]=4 575 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [0,1,0,0,0,0|1,0,2]=4 576 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [0,1,0,0,0,0|1,0,2]=4 577 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [0,1,0,0,0,0|1,0,2]=4 578 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [0,1,0,0,0,0|1,0,2]=4 579 B10R1.17 OCCNC1CCNCC1 270004a_100000210304_100015192401 [0,1,0,0,0,0|1,0,2]=4 580 B10R1.17 OCCNC1CCOCC1 2230a_100000741149_100000211926 [0,1,0,0,0,0|1,0,2]=4 581 B10R1.17 OCCNC1CCOCC1 270004a_100000210304_100011217826 [0,1,0,0,0,0|1,0,2]=4 582 B10R1.17 OCCNC1CCOCC1 34a_100000741149_100000211926 [0,1,0,0,0,0|1,0,2]=4 583 B10R1.17 OCCNC1CCSCC1 2230a_100000748639_100000211926 [0,1,0,0,0,0|1,0,2]=4 584 B10R1.17 OCCNC1CCSCC1 270004a_100000210304_100000203788 [0,1,0,0,0,0|1,0,2]=4 585 B10R1.17 OCCNC1CCSCC1 34a_100000748639_100000211926 [0,1,0,0,0,0|1,0,2]=4 586 B10R1.17 OCCNC1CCSCC1 34a_100016990907_100000069128 [0,1,0,0,0,0|1,0,2]=4 587 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,1,0,0,0,0|1,0,2]=4 588 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,1,0,0,0,0|1,0,2]=4 589 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,1,0,0,0,0|1,0,2]=4 590 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,1,0,0,0,0|1,0,2]=4 591 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [0,1,0,0,0,0|2,0,1]=4 592 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [0,1,0,0,0,0|2,0,1]=4 593 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,1,0,0,0,0|1,0,2]=4 594 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,1,0,0,0,0|1,0,2]=4 595 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [0,1,0,0,0,0|1,1,1]=4 596 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [0,1,0,0,0,0|1,1,1]=4 597 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [0,1,0,0,0,0|1,1,1]=4 598 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [0,1,0,0,0,0|1,1,1]=4 599 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,0,0,0|1,0,1]=3 600 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,1,0,0,0,0|2,0,1]=4 601 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,0,0,0|1,0,2]=4 602 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,0,0,0|1,0,0]=2 603 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,0,0,0|1,0,0]=2 604 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,0,0,0|2,0,0]=3 605 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,0,0,0|2,0,0]=3 606 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,0,0,0|2,0,0]=3 607 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,0,0,0|2,0,0]=3 608 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,0,0,0|2,0,0]=3 610 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,0,0,0|2,0,0]=3 611 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,1,0,0,0,0|3,0,0]=4 612 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,0,0,0|0,0,0]=1 613 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,0,0,0|0,0,0]=1 614 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,0,0,0|0,0,0]=1 615 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,0,0,0|0,0,0]=1 616 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,0,0,0|1,0,0]=2 617 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,0,0,0|1,0,0]=2 618 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,0,0,0|1,0,0]=2 619 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,0,0,0|1,0,0]=2 620 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,1,0,0,0,0|1,0,0]=2 621 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,1,0,0,0,0|1,0,0]=2 622 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,1,0,0,0,0|1,0,0]=2 623 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,1,0,0,0,0|1,0,0]=2 624 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,1,0,0,0,0|1,0,0]=2 625 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,1,0,0,0,0|1,0,0]=2 626 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,1,0,0,0,0|1,0,0]=2 627 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,1,0,0,0,0|1,0,0]=2 628 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [0,1,0,0,0,0|1,0,1]=3 629 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [0,1,0,0,0,0|1,0,1]=3 630 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [0,1,0,0,0,0|1,0,1]=3 631 B10R1.18 CC(C)NC1CCCOC1 2230a_100000719290_100000210206 [0,1,0,0,0,0|2,0,1]=4 632 B10R1.18 CC(C)NC1CCCOC1 34a_100000719290_100000210206 [0,1,0,0,0,0|2,0,1]=4 633 B10R1.18 CC(C)NC1CCCOC1 34a_100138425928_100000693364 [0,1,0,0,0,0|2,0,1]=4 634 B10R1.18 CC(C)NC1CCOCC1 2230a_100000741149_100000210206 [0,1,0,0,0,0|2,0,1]=4 635 B10R1.18 CC(C)NC1CCOCC1 34a_100000741149_100000210206 [0,1,0,0,0,0|2,0,1]=4 636 B10R1.18 CC(C)NC1CCSCC1 2230a_100000748639_100000210206 [0,1,0,0,0,0|2,0,1]=4 637 B10R1.18 CC(C)NC1CCSCC1 34a_100000748639_100000210206 [0,1,0,0,0,0|2,0,1]=4 638 B10R1.18 CC(C)NC1CCSCC1 34a_100138425928_100000069128 [0,1,0,0,0,0|2,0,1]=4 639 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,1,0,0,0,0|2,0,1]=4 640 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,1,0,0,0,0|2,0,1]=4 641 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,1,0,0,0,0|2,0,1]=4 642 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [0,1,0,0,0,0|2,0,1]=4 643 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [0,1,0,0,0,0|2,0,1]=4 644 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,1,0,0,0,0|3,0,0]=4 645 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,1,0,0,0,0|3,0,0]=4 646 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,1,0,0,0,0|3,0,0]=4 647 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,1,0,0,0,0|3,0,0]=4 648 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,1,0,0,0,0|3,0,0]=4 649 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,1,0,0,0,0|3,0,0]=4 651 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,1,0,0,0,0|3,0,0]=4 654 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,1,0,0,0,0|3,0,0]=4 655 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [0,1,0,0,0,0|3,0,0]=4 656 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [0,1,0,0,0,0|3,0,0]=4 657 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [0,1,0,0,0,0|3,0,0]=4 658 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [0,1,0,0,0,0|3,0,0]=4 659 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [0,1,0,0,0,0|3,0,0]=4 660 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,1,0,0,0,0|3,0,0]=4 661 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [0,1,0,0,0,0|3,0,0]=4 664 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [0,1,0,0,0,0|3,0,0]=4 665 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,0,0,0|1,0,1]=3 666 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,1,0,0,0,0|2,0,1]=4 667 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,0,0,0|1,0,2]=4 668 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,0,0,0|1,0,0]=2 669 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,0,0,0|2,0,0]=3 670 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,0,0,0|2,0,0]=3 671 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,0,0,0|2,0,0]=3 672 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,0,0,0|2,0,0]=3 673 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,1,0,0,0,0|3,0,0]=4 674 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [0,1,0,0,0,0|3,0,0]=4 676 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [0,1,0,0,0,0|3,0,0]=4 677 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [0,1,0,0,0,0|3,0,0]=4 678 B10R1.377 CC1(CCCCC1)NCF 34a_100000741114_100015361967 [0,1,0,0,0,0|1,0,1]=3 679 B10R1.377 CC1(CCCCC1)OCF 34a_100011215885_100015361967 [0,1,0,0,0,0|2,0,1]=4 680 B10R1.377 CC1(CCCCC1)OCF 7a_100011215885_100015361967 [0,1,0,0,0,0|2,0,1]=4 681 B10R1.377 CC1(CCOCC1)NCF 34a_100000692449_100015361967 [0,1,0,0,0,0|2,0,1]=4 682 B10R1.377 CCNC1(CCCCC1)C 2230a_100000741114_100000210202 [0,1,0,0,0,0|1,0,1]=3 683 B10R1.377 CCNC1(CCCCC1)C 34a_100000741114_100000210202 [0,1,0,0,0,0|1,0,1]=3 684 B10R1.377 CCNC1(CCOCC1)C 2230a_100000692449_100000210202 [0,1,0,0,0,0|2,0,1]=4 685 B10R1.377 CCNC1(CCOCC1)C 34a_100000692449_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|2,0,1]=4 687 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [0,1,0,0,0,0|2,0,1]=4 688 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [0,1,0,0,0,0|3,0,0]=4 689 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [0,1,0,0,0,0|3,0,0]=4 690 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [0,1,0,0,0,0|3,0,0]=4 691 B10R1.377 CNCC1(CCCCC1)O 2230a_100000748649_200000210301 [0,1,0,0,0,0|3,0,0]=4 692 B10R1.377 CNCC1(CCCCC1)O 34a_100000748649_200000210301 [0,1,0,0,0,0|3,0,0]=4 693 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [0,1,0,0,0,0|3,0,0]=4 694 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [0,1,0,0,0,0|3,0,0]=4 695 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [0,1,0,0,0,0|3,0,0]=4 697 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [0,1,0,0,0,0|3,0,0]=4 698 B10R1.377 [13CH3]NCC1(CCCCC1)O 2230a_100000748649_200025704644 [0,1,0,0,0,0|3,0,0]=4 699 B10R1.377 [13CH3]NCC1(CCCCC1)O 34a_100000748649_200025704644 [0,1,0,0,0,0|3,0,0]=4 700 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [0,1,0,0,0,0|3,0,0]=4 701 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [0,1,0,0,0,0|3,0,0]=4 702 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,0,1,0,0,0|3,0,0]=4 704 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,0,1,0,0,0|3,0,0]=4 705 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,0,1,0,0,0|3,0,0]=4 706 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,0,1,0,0,0|3,0,0]=4 707 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,0,1,0,0,0|3,0,0]=4 708 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,0,1,0,0,0|3,0,0]=4 709 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,0,1,0,0,0|3,0,0]=4 710 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,0,1,0,0,0|3,0,0]=4 711 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,0,1,0,0,0|3,0,0]=4 712 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,0,1,0,0,0|3,0,0]=4 713 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,0,1,0,0,0|3,0,0]=4 714 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,0,1,0,0,0|3,0,0]=4 715 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,0,1,0,0,0|3,0,0]=4 716 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,0,1,0,0,0|1,0,1]=3 717 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,0,1,0,0,0|1,0,1]=3 718 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,0,1,0,0,0|1,0,1]=3 719 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,0,1,0,0,0|2,0,1]=4 720 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,0,1,0,0,0|2,0,1]=4 721 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,0,1,0,0,0|2,0,1]=4 722 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,0,1,0,0,0|2,0,1]=4 723 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,0,1,0,0,0|2,0,1]=4 724 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,0,1,0,0,0|2,0,1]=4 725 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,0,1,0,0,0|2,0,1]=4 726 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,0,1,0,0,0|2,0,1]=4 727 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,0,1,0,0,0|2,0,1]=4 728 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,0,1,0,0,0|2,0,0]=3 729 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,0,1,0,0,0|2,0,0]=3 730 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,0,1,0,0,0|2,0,1]=4 731 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,0,1,0,0,0|2,0,1]=4 732 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,0,1,0,0,0|2,0,1]=4 733 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,0,1,0,0,0|3,0,0]=4 734 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,0,1,0,0,0|3,0,0]=4 735 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,0,1,0,0,0|3,0,0]=4 736 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,0,1,0,0,0|3,0,0]=4 737 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,0,1,0,0,0|3,0,0]=4 738 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,0,1,0,0,0|3,0,0]=4 739 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,0,1,0,0,0|3,0,0]=4 740 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,0,1,0,0,0|3,0,0]=4 741 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,0,1,0,0,0|3,0,0]=4 742 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,0,1,0,0,0|3,0,0]=4 743 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,0,1,0,0,0|3,0,0]=4 744 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,0,1,0,0,0|3,0,0]=4 745 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,0,1,0,0,0|3,0,0]=4 746 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,0,1,0,0,0|3,0,0]=4 747 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,0,1,0,0,0|3,0,0]=4 748 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,0,1,0,0,0|3,0,0]=4 749 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,0,1,0,0,0|3,0,0]=4 750 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,0,1,0,0,0|3,0,0]=4 751 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,0,1,0,0,0|3,0,0]=4 752 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,0,1,0,0,0|3,0,0]=4 753 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,0,1,0,0,0|3,0,0]=4 754 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,0,1,0,0,0|3,0,0]=4 755 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,0,1,0,0,0|3,0,0]=4 756 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,0,1,0,0,0|3,0,0]=4 757 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,0,1,0,0,0|3,0,0]=4 758 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,0,1,0,0,0|3,0,0]=4 759 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,0,1,0,0,0|3,0,0]=4 760 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,0,1,0,0,0|3,0,0]=4 761 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,0,1,0,0,0|3,0,0]=4 762 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,0,1,0,0,0|3,0,0]=4 763 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,0,1,0,0,0|3,0,0]=4 764 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,0,1,0,0,0|3,0,0]=4 765 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,0,1,0,0,0|3,0,0]=4 766 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,0,1,0,0,0|3,0,0]=4 767 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,0,1,0,0,0|3,0,0]=4 768 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,0,1,0,0,0|3,0,0]=4 769 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,0,1,0,0,0|3,0,0]=4 770 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,0,1,0,0,0|3,0,0]=4 771 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,0,1,0,0,0|3,0,0]=4 772 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,0,1,0,0,0|3,0,0]=4 773 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,0,1,0,0,0|3,0,0]=4 774 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,0,1,0,0,0|3,0,0]=4 775 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,0,1,0,0,0|3,0,0]=4 776 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,0,1,0,0,0|3,0,0]=4 777 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,0,1,0,0,0|3,0,0]=4 778 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,0,1,0,0,0|3,0,0]=4 779 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,0,1,0,0,0|3,0,0]=4 780 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,0,1,0,0,0|3,0,0]=4 781 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,0,1,0,0,0|3,0,0]=4 782 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,0,1,0,0,0|3,0,0]=4 783 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,0,1,0,0,0|3,0,0]=4 784 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,0,1,0,0,0|3,0,0]=4 785 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,0,1,0,0,0|3,0,0]=4 786 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,0,1,0,0,0|3,0,0]=4 787 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,0,1,0,0,0|3,0,0]=4 788 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,0,1,0,0,0|3,0,0]=4 789 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,0,1,0,0,0|3,0,0]=4 790 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,0,1,0,0,0|3,0,0]=4 791 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,0,1,0,0,0|3,0,0]=4 792 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,0,1,0,0,0|3,0,0]=4 793 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,0,1,0,0,0|3,0,0]=4 794 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,0,1,0,0,0|3,0,0]=4 795 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,0,1,0,0,0|3,0,0]=4 796 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,0,1,0,0,0|3,0,0]=4 797 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,0,1,0,0,0|3,0,0]=4 798 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,0,1,0,0,0|3,0,0]=4 799 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,0,1,0,0,0|3,0,0]=4 800 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,0,1,0,0,0|3,0,0]=4 801 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,0,1,0,0,0|3,0,0]=4 802 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,0,1,0,0,0|3,0,0]=4 803 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,0,1,0,0,0|3,0,0]=4 804 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,0,1,0,0,0|3,0,0]=4 805 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,0,1,0,0,0|2,0,1]=4 806 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,0,1,0,0,0|3,0,0]=4 807 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,0,1,0,0,0|3,0,0]=4 808 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,0,1,0,0,0|3,0,0]=4 809 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,0,1,0,0,0|3,0,0]=4 810 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,0,1,0,0,0|3,0,0]=4 811 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,0,1,0,0,0|3,0,0]=4 812 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,0,1,0,0,0|3,0,0]=4 813 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,0,1,0,0,0|3,0,0]=4 814 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,0,1,0,0,0|3,0,0]=4 815 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,0,1,0,0,0|3,0,0]=4 816 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,0,1,0,0,0|3,0,0]=4 817 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,0,1,0,0,0|3,0,0]=4 818 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,0,1,0,0,0|3,0,0]=4 819 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,0,1,0,0,0|3,0,0]=4 820 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,0,1,0,0,0|1,0,1]=3 821 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,0,1,0,0,0|1,0,1]=3 822 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,0,1,0,0,0|2,0,1]=4 823 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,0,1,0,0,0|2,0,1]=4 824 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,0,1,0,0,0|2,0,1]=4 825 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,0,1,0,0,0|2,0,1]=4 826 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,0,1,0,0,0|2,0,1]=4 827 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,0,1,0,0,0|2,0,1]=4 828 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,0,1,0,0,0|2,0,1]=4 829 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,0,1,0,0,0|2,0,1]=4 830 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,0,1,0,0,0|2,0,1]=4 831 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,0,1,0,0,0|2,0,0]=3 832 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,0,1,0,0,0|2,0,0]=3 833 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,0,1,0,0,0|2,0,0]=3 834 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,0,1,0,0,0|2,0,0]=3 835 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,0,1,0,0,0|2,0,0]=3 836 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,0,1,0,0,0|2,0,1]=4 837 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,0,1,0,0,0|2,0,1]=4 838 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,0,1,0,0,0|2,0,1]=4 839 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,0,1,0,0,0|2,0,1]=4 840 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,0,1,0,0,0|2,0,1]=4 841 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,0,1,0,0,0|2,0,0]=3 842 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,0,1,0,0,0|2,0,0]=3 843 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,0,1,0,0,0|2,0,1]=4 844 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,0,1,0,0,0|2,0,0]=3 845 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,0,1,0,0,0|2,0,1]=4 846 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,0,1,0,0,0|2,0,1]=4 847 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,0,1,0,0,0|2,0,1]=4 848 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,0,1,0,0,0|2,0,1]=4 849 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,0,1,0,0,0|2,0,1]=4 850 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,0,1,0,0,0|2,0,1]=4 851 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,0,1,0,0,0|2,0,1]=4 852 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,0,1,0,0,0|2,0,1]=4 853 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,0,1,0,0,0|2,0,1]=4 854 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,0,1,0,0,0|3,0,0]=4 855 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,0,1,0,0,0|3,0,0]=4 856 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,0,1,0,0,0|3,0,0]=4 857 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,0,1,0,0,0|3,0,0]=4 858 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,0,1,0,0,0|3,0,0]=4 859 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,0,1,0,0,0|3,0,0]=4 860 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,0,1,0,0,0|2,0,0]=3 861 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,0,1,0,0,0|2,0,0]=3 862 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,0,1,0,0,0|3,0,0]=4 863 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,0,1,0,0,0|3,0,0]=4 864 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,0,1,0,0,0|3,0,0]=4 865 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,0,1,0,0,0|3,0,0]=4 866 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,0,1,0,0,0|3,0,0]=4 867 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,0,1,0,0,0|2,0,0]=3 868 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,0,1,0,0,0|2,0,0]=3 869 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,0,1,0,0,0|3,0,0]=4 870 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,0,1,0,0,0|3,0,0]=4 871 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,0,1,0,0,0|3,0,0]=4 872 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,0,1,0,0,0|3,0,0]=4 873 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,0,1,0,0,0|3,0,0]=4 874 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,0,1,0,0,0|3,0,0]=4 875 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,0,1,0,0,0|3,0,0]=4 876 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,0,1,0,0,0|2,0,0]=3 877 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,0,1,0,0,0|2,0,0]=3 878 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,0,1,0,0,0|3,0,0]=4 879 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,0,1,0,0,0|3,0,0]=4 880 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,0,1,0,0,0|3,0,0]=4 881 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,0,1,0,0,0|3,0,0]=4 882 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,0,1,0,0,0|3,0,0]=4 883 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,0,1,0,0,0|3,0,0]=4 884 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,0,1,0,0,0|3,0,0]=4 885 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,0,1,0,0,0|3,0,0]=4 886 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,0,1,0,0,0|3,0,0]=4 887 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,0,1,0,0,0|3,0,0]=4 888 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,0,1,0,0,0|3,0,0]=4 889 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,0,1,0,0,0|3,0,0]=4 890 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,0,1,0,0,0|3,0,0]=4 891 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,0,1,0,0,0|3,0,0]=4 892 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,0,1,0,0,0|3,0,0]=4 893 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,0,1,0,0,0|3,0,0]=4 894 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,0,1,0,0,0|3,0,0]=4 895 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,0,1,0,0,0|3,0,0]=4 896 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,0,1,0,0,0|3,0,0]=4 897 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,0,1,0,0,0|3,0,0]=4 898 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,0,1,0,0,0|3,0,0]=4 899 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,0,1,0,0,0|3,0,0]=4 900 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,0,1,0,0,0|3,0,0]=4 901 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,0,1,0,0,0|3,0,0]=4 902 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,0,1,0,0,0|3,0,0]=4 903 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,0,1,0,0,0|2,0,1]=4 904 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,0,1,0,0,0|2,0,0]=3 905 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,0,1,0,0,0|2,0,0]=3 906 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,0,1,0,0,0|3,0,0]=4 907 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,0,1,0,0,0|3,0,0]=4 908 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,0,1,0,0,0|3,0,0]=4 909 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,0,1,0,0,0|3,0,0]=4 910 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,0,1,0,0,0|3,0,0]=4 911 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,0,1,0,0,0|3,0,0]=4 912 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,0,1,0,0,0|3,0,0]=4 913 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,0,1,0,0,0|3,0,0]=4 914 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [0,0,1,0,0,0|3,0,0]=4 915 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [0,0,1,0,0,0|3,0,0]=4 916 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,0,1,0,0,0|1,0,1]=3 917 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,0,1,0,0,0|1,0,1]=3 918 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,0,1,0,0,0|2,0,1]=4 919 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,0,1,0,0,0|2,0,1]=4 920 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,0,1,0,0,0|2,0,1]=4 921 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,0,1,0,0,0|2,0,1]=4 922 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,0,1,0,0,0|2,0,1]=4 923 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,0,1,0,0,0|2,0,1]=4 924 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,0,1,0,0,0|2,0,1]=4 925 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,0,1,0,0,0|2,0,1]=4 926 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,0,1,0,0,0|2,0,0]=3 927 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,0,1,0,0,0|2,0,0]=3 928 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,0,1,0,0,0|2,0,1]=4 929 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,0,1,0,0,0|2,0,1]=4 930 B8R0.22 CCC[C@@H](CO)NCF 34a_100000732646_100015361967 [0,0,1,0,0,0|2,0,1]=4 931 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,0,1,0,0,0|3,0,0]=4 932 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,0,1,0,0,0|3,0,0]=4 933 B8R0.22 CCNC(CC)COC 2230a_100000757820_100000210202 [0,0,1,0,0,0|2,0,1]=4 934 B8R0.22 CCNC(CC)COC 270004a_100015525214_100000757811 [0,0,1,0,0,0|2,0,1]=4 935 B10R2.58 C=CCN1CC2CC2C1 2230a_100000741873_100000210623 [0,0,0,1,0,0|3,0,0]=4 936 B10R2.58 C=CCN1CC2CC2C1 269982a_100000741873_100000210623 [0,0,0,1,0,0|3,0,0]=4 937 B10R2.58 C=CCN1CC2CC2C1 34a_100000741873_100015514636 [0,0,0,1,0,0|3,0,0]=4 938 B10R2.58 CCNC1CC2CC2C1 270004a_100015525214_100010340937 [0,0,0,1,0,0|1,0,1]=3 939 B10R2.58 O=CCN1CC2CC2C1 2230a_100000741873_200015260668 [0,0,0,1,0,0|2,0,0]=3 940 B10R2.58 O=CCN1CC2CC2C1 269982a_100000741873_200015260668 [0,0,0,1,0,0|2,0,0]=3 941 B10R2.58 O=CCN1CC2CC2C1 34a_100000741873_200009817547 [0,0,0,1,0,0|2,0,0]=3 942 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 943 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 944 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 945 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 946 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 947 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 948 B10R2.161 CCN1C2CCC1CC2 2230a_100000735658_100000210202 [0,0,0,1,0,0|1,0,1]=3 949 B10R2.161 CCN1C2CCC1CC2 269982a_100000735658_100000204670 [0,0,0,1,0,0|1,0,1]=3 950 B10R2.161 CCN1C2CCC1CC2 34a_100000735658_100000210202 [0,0,0,1,0,0|1,0,1]=3 951 B10R2.161 CNC1C2CCC1CC2 34a_100102657272_100009813300 [0,0,0,1,0,0|3,0,0]=4 952 B10R2.161 COC1C2CCC1CC2 34a_100138415774_100009813300 [0,0,0,1,0,0|3,0,0]=4 953 B10R2.161 CSC1C2CCC1CC2 62a_100009813300_200000210301 [0,0,0,1,0,0|3,0,0]=4 954 B10R2.161 CSC1C2CCC1CC2 62a_200000210301_100009813300 [0,0,0,1,0,0|3,0,0]=4 955 B10R2.161 FCN1C2CCC1CC2 269982a_100000735658_100015361967 [0,0,0,1,0,0|1,0,1]=3 956 B10R2.161 FCN1C2CCC1CC2 34a_100000735658_100015361967 [0,0,0,1,0,0|1,0,1]=3 957 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_100009813300_200025704644 [0,0,0,1,0,0|3,0,0]=4 958 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_200025704644_100009813300 [0,0,0,1,0,0|3,0,0]=4 959 B10R2.172 CCNC1C2C1COC2 2230a_100000702821_100000210202 [0,0,0,1,0,0|2,0,1]=4 960 B10R2.172 CCNC1C2C1COC2 34a_100000702821_100000210202 [0,0,0,1,0,0|2,0,1]=4 961 B10R2.172 FCNC1C2C1COC2 34a_100000702821_100015361967 [0,0,0,1,0,0|2,0,1]=4 962 B10R2.368 CCNC1CCC2C1C2 269862a_100015525214_100000692480 [0,0,0,1,0,0|1,0,1]=3 963 B10R2.368 CCNC1CCC2C1C2 270004a_100015525214_100000692480 [0,0,0,1,0,0|1,0,1]=3 964 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [0,0,0,1,0,0|2,0,1]=4 965 B10R2.368 FCOC1CCC2C1C2 34a_200012295571_100015361967 [0,0,0,1,0,0|2,0,1]=4 966 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,0,0,0,1,0|3,0,0]=4 967 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,0,0,0,1,0|3,0,0]=4 968 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,0,0,1,0|1,0,1]=3 969 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,0,0,1,0|1,0,1]=3 970 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,0,0,1,0|1,0,1]=3 971 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,0,0,1,0|1,0,1]=3 972 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [0,0,0,0,1,0|2,0,1]=4 973 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [0,0,0,0,1,0|2,0,1]=4 974 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,0,0,0,1,0|2,0,1]=4 975 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [0,0,0,0,1,0|2,0,1]=4 976 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [0,0,0,0,1,0|2,0,1]=4 977 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [0,0,0,0,1,0|2,0,1]=4 978 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,0,1,0|2,0,1]=4 979 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,0,1,0|2,0,1]=4 980 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,0,1,0|2,0,1]=4 981 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,0,0,0,1,0|2,0,1]=4 982 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,0,0,0,1,0|2,0,1]=4 983 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,0,0,0,1,0|3,0,0]=4 984 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,0,0,0,1,0|3,0,0]=4 985 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,0,0,0,1,0|3,0,0]=4 986 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,0,0,0,1,0|3,0,0]=4 987 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,0,0,0,1,0|3,0,0]=4 988 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,0,0,0,1,0|3,0,0]=4 989 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,0,0,0,1,0|3,0,0]=4 990 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,0,0,0,1,0|3,0,0]=4 991 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,0,0,0,1,0|3,0,0]=4 992 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,0,0,1,0|3,0,0]=4 993 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,0,0,1,0|3,0,0]=4 994 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,0,0,0,1,0|1,0,1]=3 995 B8R1.8 FCN[C@H]1CCOC1 34a_100015188467_100015361967 [0,0,0,0,1,0|2,0,1]=4 996 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,0,0,0,1,0|2,0,1]=4 997 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,0,0,0,1,0|2,0,1]=4 998 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,0,0,0,1,0|2,0,1]=4 999 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,0,0,0,1,0|2,0,1]=4 1000 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,0,0,0,1,0|2,0,0]=3 1001 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,0,0,0,1,0|2,0,0]=3 1002 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,0,0,0,1,0|3,0,0]=4 1003 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,0,0,0,1,0|3,0,0]=4 1004 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,0,0,0,1,0|3,0,0]=4 1005 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,0,0,0,1,0|3,0,0]=4 1006 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,0,0,0,1,0|3,0,0]=4 1007 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,0,0,0,1,0|3,0,0]=4 1008 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,0,0,1,0|3,0,0]=4 1009 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,0,0,1,0|3,0,0]=4 1010 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,0,0,0,0,1|3,0,0]=4 1011 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,0,0,0,0,1|3,0,0]=4 1012 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,0,0,0,0,1|3,0,0]=4 1013 B10R1.85 C=CCN1CCCOCC1 2230a_100000685342_100000210623 [0,0,0,0,0,1|3,0,0]=4 1014 B10R1.85 C=CCN1CCCOCC1 269982a_100000685342_100000210623 [0,0,0,0,0,1|3,0,0]=4 1015 B10R1.85 C=CCN1CCCOCC1 34a_100000685342_100015514636 [0,0,0,0,0,1|3,0,0]=4 1016 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,0,0,0,0,1|1,0,1]=3 1017 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,0,0,0,0,1|1,0,1]=3 1018 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,0,0,0,0,1|1,0,1]=3 1019 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [0,0,0,0,0,1|1,0,1]=3 1020 B10R1.85 CCNC1CSCCSC1 270004a_100015525214_100000068409 [0,0,0,0,0,1|2,0,1]=4 1021 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,0,0,0,1|2,0,1]=4 1022 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,0,0,0,1|2,0,1]=4 1023 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,0,0,0,1|2,0,1]=4 1024 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,0,0,0,0,1|2,0,1]=4 1025 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,0,0,0,0,1|2,0,1]=4 1026 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,0,0,0,0,1|3,0,0]=4 1027 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,0,0,0,0,1|3,0,0]=4 1028 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,0,0,0,0,1|3,0,0]=4 1029 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,0,0,0,0,1|3,0,0]=4 1030 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,0,0,0,0,1|3,0,0]=4 1031 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,0,0,0,0,1|3,0,0]=4 1032 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,0,0,0,0,1|3,0,0]=4 1033 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,0,0,0,0,1|3,0,0]=4 1034 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,0,0,0,0,1|3,0,0]=4 1035 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,0,0,0,0,1|3,0,0]=4 1036 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,0,0,0,0,1|3,0,0]=4 1037 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,0,0,0,0,1|1,0,1]=3 1038 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,0,0,0,0,1|2,0,1]=4 1039 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,0,0,0,0,1|2,0,1]=4 1040 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,0,0,0,0,1|2,0,1]=4 1041 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,0,0,0,0,1|2,0,1]=4 1042 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,0,0,0,0,1|2,0,0]=3 1043 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,0,0,0,0,1|2,0,0]=3 1044 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,0,0,0,0,1|2,0,0]=3 1045 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [0,0,0,0,0,1|2,0,0]=3 1046 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [0,0,0,0,0,1|2,0,0]=3 1047 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [0,0,0,0,0,1|2,0,0]=3 1048 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,0,0,0,0,1|3,0,0]=4 1049 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,0,0,0,0,1|3,0,0]=4 1050 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,0,0,0,0,1|3,0,0]=4 1051 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,0,0,0,0,1|3,0,0]=4 1052 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,0,0,0,0,1|3,0,0]=4 1053 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,0,0,0,0,1|3,0,0]=4 1054 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,1,0,0,0|2,0,0]=4 1055 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,1,0,0,0|2,0,0]=4 1056 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,1,0,0,0|2,0,0]=4 1057 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,1,0,0,0|2,0,0]=4 1058 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,1,0,0,0|2,0,0]=4 1059 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,1,0,0,0|2,0,0]=4 1060 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,1,0,0,0|2,0,0]=4 1061 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 1062 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,1,0,0,0|2,0,0]=4 1063 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 1064 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 1065 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 1066 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,1,0,0,0|2,0,0]=4 1067 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,1,0,0,0|2,0,0]=4 1068 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,1,0,0,0|2,0,0]=4 1069 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,1,0,0,0|2,0,0]=4 1070 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,1,0,0,0|2,0,0]=4 1071 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,1,0,0,0|2,0,0]=4 1072 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,1,0,0,0|2,0,0]=4 1073 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,1,0,0,0|2,0,0]=4 1074 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,1,0,0,0|2,0,0]=4 1075 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,1,0,0,0|2,0,0]=4 1076 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,1,0,0,0|2,0,0]=4 1077 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,1,0,0,0|2,0,0]=4 1078 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,1,0,0,0|2,0,0]=4 1079 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,1,0,0,0|2,0,0]=4 1080 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,1,0,0,0|2,0,0]=4 1081 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,1,0,0,0|2,0,0]=4 1082 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,1,0,0,0|2,0,0]=4 1083 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,1,0,0,0|2,0,0]=4 1084 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,1,0,0,0|2,0,0]=4 1085 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,1,0,0,0|2,0,0]=4 1086 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,1,0,0,0|2,0,0]=4 1087 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,1,0,0,0|2,0,0]=4 1088 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,1,0,0,0|2,0,0]=4 1089 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,1,0,0,0|2,0,0]=4 1090 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,1,0,0,0|2,0,0]=4 1091 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,1,0,0,0|0,0,1]=3 1092 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,1,0,0,0|0,0,1]=3 1093 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,1,0,0,0|0,0,1]=3 1094 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,1,0,0,0|0,0,1]=3 1095 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,1,0,0,0|0,0,1]=3 1096 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,1,0,0,0|1,0,1]=4 1097 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,1,0,0,0|1,0,1]=4 1098 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,1,0,0,0|1,0,1]=4 1099 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,1,0,0,0|1,0,1]=4 1100 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,1,0,0,0|1,0,1]=4 1101 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,1,0,0,0|1,0,1]=4 1102 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,1,0,0,0|1,0,1]=4 1103 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,1,0,0,0|1,0,1]=4 1104 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,1,0,0,0|1,0,1]=4 1105 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,1,0,0,0|1,0,1]=4 1106 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,1,0,0,0|1,0,1]=4 1107 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,1,0,0,0|1,0,0]=3 1108 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,1,0,0,0|1,0,0]=3 1109 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,1,0,0,0|1,0,0]=3 1110 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,1,0,0,0|1,0,0]=3 1111 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,1,0,0,0|1,0,1]=4 1112 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,1,0,0,0|1,0,1]=4 1113 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,1,0,0,0|1,0,0]=3 1114 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,1,0,0,0|1,0,0]=3 1115 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,1,0,0,0|1,0,1]=4 1116 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,1,0,0,0|1,0,1]=4 1117 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,1,0,0,0|1,0,1]=4 1118 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,1,0,0,0|1,0,1]=4 1119 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,1,0,0,0|1,0,1]=4 1120 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,1,0,0,0|1,0,1]=4 1121 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,1,0,0,0|1,0,1]=4 1122 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,1,0,0,0|1,0,1]=4 1123 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,1,0,0,0|1,0,1]=4 1124 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,1,0,0,0|1,0,0]=3 1125 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,1,0,0,0|1,0,1]=4 1126 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,1,0,0,0|1,0,1]=4 1127 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,1,0,0,0|1,0,1]=4 1128 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,1,0,0,0|1,0,1]=4 1129 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,1,0,0,0|1,0,1]=4 1130 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,1,0,0,0|1,0,1]=4 1131 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,1,0,0,0|1,0,1]=4 1132 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,1,0,0,0|1,0,1]=4 1133 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,1,0,0,0|2,0,0]=4 1134 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,1,0,0,0|2,0,0]=4 1135 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,1,0,0,0|1,0,0]=3 1136 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,1,0,0,0|1,0,0]=3 1137 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,1,0,0,0|1,0,0]=3 1138 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,1,0,0,0|1,0,0]=3 1139 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,1,0,0,0|1,0,1]=4 1140 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,1,0,0,0|1,0,1]=4 1141 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,1,0,0,0|1,0,1]=4 1142 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,1,0,0,0|1,0,1]=4 1143 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,1,0,0,0|1,0,1]=4 1144 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,1,0,0,0|1,0,1]=4 1145 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,1,0,0,0|1,0,1]=4 1146 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,1,0,0,0|1,0,1]=4 1147 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,1,0,0,0|1,0,1]=4 1148 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,1,0,0,0|1,0,1]=4 1149 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,1,0,0,0|1,0,1]=4 1150 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,1,0,0,0|2,0,0]=4 1151 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,1,0,0,0|2,0,0]=4 1152 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,1,0,0,0|2,0,0]=4 1153 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,1,0,0,0|2,0,0]=4 1154 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,1,0,0,0|1,0,0]=3 1155 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,1,0,0,0|1,0,0]=3 1156 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,1,0,0,0|2,0,0]=4 1157 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,1,0,0,0|2,0,0]=4 1158 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,1,0,0,0|2,0,0]=4 1159 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,1,0,0,0|2,0,0]=4 1160 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,1,0,0,0|2,0,0]=4 1161 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,1,0,0,0|2,0,0]=4 1162 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,1,0,0,0|2,0,0]=4 1163 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,1,0,0,0|2,0,0]=4 1164 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,1,0,0,0|2,0,0]=4 1165 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,1,0,0,0|2,0,0]=4 1166 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,1,0,0,0|2,0,0]=4 1167 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,1,0,0,0|2,0,0]=4 1168 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,1,0,0,0|2,0,0]=4 1169 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,1,0,0,0|2,0,0]=4 1170 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,1,0,0,0|2,0,0]=4 1171 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,1,0,0,0|2,0,0]=4 1172 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,1,0,0,0|2,0,0]=4 1173 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,1,0,0,0|1,0,1]=4 1174 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,1,0,0,0|1,0,1]=4 1175 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,1,0,0,0|1,0,0]=3 1176 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,1,0,0,0|1,0,0]=3 1177 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,1,0,0,0|2,0,0]=4 1178 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,1,0,0,0|2,0,0]=4 1179 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,1,0,0,0|2,0,0]=4 1180 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,1,0,0,0|2,0,0]=4 1181 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,1,0,0,0|0,0,1]=3 1182 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,1,0,0,0|0,0,1]=3 1183 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,1,0,0,0|0,0,1]=3 1184 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,1,0,0,0|0,0,1]=3 1185 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,1,0,0,0|0,0,1]=3 1186 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,1,0,0,0|0,0,1]=3 1187 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,1,0,0,0|1,0,1]=4 1188 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,1,0,0,0|1,0,1]=4 1189 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,1,0,0,0|1,0,1]=4 1190 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,1,0,0,0|1,0,1]=4 1191 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,1,0,0,0|1,0,1]=4 1192 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,1,0,0,0|1,0,1]=4 1193 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,1,0,0,0|1,0,1]=4 1194 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,1,0,0,0|1,0,1]=4 1195 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,1,0,0,0|1,0,1]=4 1196 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,0,1,0,0,0|1,0,1]=4 1197 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,0,1,0,0,0|1,0,1]=4 1198 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,0,1,0,0,0|1,0,1]=4 1199 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,0,1,0,0,0|1,0,1]=4 1200 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,0,1,0,0,0|1,0,1]=4 1201 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,0,1,0,0,0|1,0,1]=4 1202 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,0,1,0,0,0|2,0,0]=4 1203 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,0,1,0,0,0|2,0,0]=4 1204 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,0,1,0,0,0|2,0,0]=4 1205 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,0,1,0,0,0|2,0,0]=4 1206 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1207 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1208 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1209 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1210 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [1,0,1,0,0,0|1,0,1]=4 1211 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [1,0,1,0,0,0|1,0,1]=4 1212 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [1,0,1,0,0,0|1,0,1]=4 1213 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,0,1,0,0,0|0,0,1]=3 1214 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,0,1,0,0,0|0,0,1]=3 1215 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,0,1,0,0,0|0,0,1]=3 1216 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,0,1,0,0,0|0,0,1]=3 1217 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,0,1,0,0,0|1,0,1]=4 1218 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,0,1,0,0,0|1,0,1]=4 1219 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,0,1,0,0,0|1,0,1]=4 1220 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,0,1,0,0,0|1,0,1]=4 1221 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,0,1,0,0,0|1,0,1]=4 1222 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,0,1,0,0,0|1,0,1]=4 1223 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,0,1,0,0,0|1,0,1]=4 1224 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,0,1,0,0,0|1,0,1]=4 1225 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,0,1,0,0,0|1,0,1]=4 1226 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,0,1,0,0,0|1,0,1]=4 1227 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,0,1,0,0,0|1,0,1]=4 1228 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,0,1,0,0,0|1,0,1]=4 1229 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [1,0,1,0,0,0|2,0,0]=4 1230 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [1,0,1,0,0,0|2,0,0]=4 1231 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [1,0,1,0,0,0|2,0,0]=4 1232 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [1,0,1,0,0,0|1,0,1]=4 1233 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [1,0,1,0,0,0|1,0,1]=4 1234 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,1,0,0,0|0,0,0]=2 1235 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,1,0,0,0|0,0,0]=2 1236 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,1,0,0,0|0,0,0]=2 1237 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,1,0,0,0|0,0,0]=2 1238 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,1,1,0,0,0|1,0,1]=4 1239 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,1,1,0,0,0|1,0,1]=4 1240 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,1,1,0,0,0|1,0,1]=4 1241 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,1,1,0,0,0|2,0,0]=4 1242 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,1,1,0,0,0|2,0,0]=4 1243 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,1,1,0,0,0|2,0,0]=4 1244 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,1,0,0,0|2,0,0]=4 1245 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,1,1,0,0,0|2,0,0]=4 1246 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,1,0,0,0|2,0,0]=4 1247 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,1,0,0,0|2,0,0]=4 1248 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [0,1,1,0,0,0|2,0,0]=4 1249 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,1,1,0,0,0|2,0,0]=4 1250 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,1,1,0,0,0|2,0,0]=4 1251 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,1,1,0,0,0|2,0,0]=4 1252 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,1,1,0,0,0|2,0,0]=4 1253 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,1,0,0,0|1,0,1]=4 1254 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,1,0,0,0|1,0,1]=4 1255 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,1,0,0,0|1,0,1]=4 1256 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [0,1,1,0,0,0|2,0,0]=4 1257 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [0,1,1,0,0,0|2,0,0]=4 1258 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,1,1,0,0,0|1,0,1]=4 1259 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,1,0,0,0|1,0,1]=4 1260 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,1,1,0,0,0|1,0,1]=4 1261 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [0,1,1,0,0,0|2,0,0]=4 1262 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [0,1,1,0,0,0|2,0,0]=4 1263 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [0,1,1,0,0,0|2,0,0]=4 1264 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [0,1,1,0,0,0|2,0,0]=4 1265 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,1,0,0,0|2,0,0]=4 1266 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,1,1,0,0,0|1,0,1]=4 1267 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,1,1,0,0,0|1,0,1]=4 1268 B9R0.18 C#CCNC(C)CCCC 2230a_100000126638_100000038162 [0,1,1,0,0,0|1,0,1]=4 1269 B9R0.18 C#CCNC(C)CCCC 34a_100000212058_200011215066 [0,1,1,0,0,0|1,0,1]=4 1270 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [0,1,1,0,0,0|1,0,0]=3 1271 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [0,1,1,0,0,0|1,0,0]=3 1272 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [0,1,1,0,0,0|1,0,0]=3 1273 B9R0.18 C=CCNC(C)CCOC 270004a_100020586998_100000742357 [0,1,1,0,0,0|2,0,0]=4 1274 B9R0.18 C=CCNC(C)CCSC 270004a_100020586998_100011217047 [0,1,1,0,0,0|2,0,0]=4 1275 B9R0.18 C=CCNC(C)CSCC 270004a_100020586998_200011216171 [0,1,1,0,0,0|2,0,0]=4 1276 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,1,1,0,0,0|2,0,0]=4 1277 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,1,1,0,0,0|2,0,0]=4 1278 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,1,1,0,0,0|2,0,0]=4 1279 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,1,1,0,0,0|2,0,0]=4 1280 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,1,1,0,0,0|2,0,0]=4 1281 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [0,1,1,0,0,0|2,0,0]=4 1282 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [0,1,1,0,0,0|2,0,0]=4 1283 B9R0.18 CCCCC(C)NCC#N 2230a_100000126638_100011215382 [0,1,1,0,0,0|1,0,1]=4 1284 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [0,1,1,0,0,0|0,0,0]=2 1285 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,1,1,0,0,0|1,0,1]=4 1286 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,1,1,0,0,0|1,0,1]=4 1287 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [0,1,1,0,0,0|1,0,1]=4 1288 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [0,1,1,0,0,0|1,0,1]=4 1289 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,1,1,0,0,0|0,0,2]=4 1290 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,1,1,0,0,0|0,0,2]=4 1291 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,1,1,0,0,0|0,0,2]=4 1292 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,1,1,0,0,0|0,0,2]=4 1293 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,1,1,0,0,0|0,0,2]=4 1294 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [0,1,1,0,0,0|0,1,1]=4 1295 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,1,1,0,0,0|1,0,0]=3 1296 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,1,1,0,0,0|1,0,0]=3 1297 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,1,1,0,0,0|1,0,0]=3 1298 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,1,1,0,0,0|1,0,0]=3 1299 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [0,1,1,0,0,0|2,0,0]=4 1300 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [0,1,1,0,0,0|2,0,0]=4 1301 B9R0.34 CCC(C)CN(C)CC=O 2230a_100000753921_200015260668 [0,1,1,0,0,0|2,0,0]=4 1302 B9R0.34 CCC(C)CN(C)CC=O 269982a_100000753921_200015260668 [0,1,1,0,0,0|2,0,0]=4 1303 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,1,1,0,0,0|1,0,1]=4 1304 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,1,1,0,0,0|1,0,1]=4 1305 B9R0.35 CCCC(C)C(C)NCC 270004a_100015525214_100011216282 [0,1,1,0,0,0|1,0,1]=4 1306 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [0,1,1,0,0,0|2,0,0]=4 1307 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [0,1,1,0,0,0|2,0,0]=4 1308 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [0,1,1,0,0,0|2,0,0]=4 1309 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [0,1,1,0,0,0|2,0,0]=4 1310 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [0,1,1,0,0,0|1,0,1]=4 1311 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [0,1,1,0,0,0|2,0,0]=4 1312 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [0,1,1,0,0,0|2,0,0]=4 1313 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [0,1,1,0,0,0|1,0,1]=4 1314 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [0,1,1,0,0,0|1,0,1]=4 1315 B9R0.40 CCCC[C@@H](CO)NCF 34a_100011934283_100015361967 [0,1,1,0,0,0|1,0,1]=4 1316 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,1,1,0,0,0|2,0,0]=4 1317 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,1,1,0,0,0|2,0,0]=4 1318 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,1,1,0,0,0|1,0,1]=4 1319 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,1,1,0,0,0|1,0,1]=4 1320 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,1,1,0,0,0|1,0,1]=4 1321 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,1,0,0,0|0,0,2]=4 1322 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,1,0,0,0|0,0,2]=4 1323 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,1,0,0,0|0,0,2]=4 1324 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,1,0,0,0|0,0,2]=4 1325 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,1,0,0,0|0,0,2]=4 1326 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,1,0,0,0|0,0,2]=4 1327 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,1,0,0,0|0,0,2]=4 1328 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,1,0,0,0|0,0,2]=4 1329 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,1,0,0,0|2,0,0]=4 1330 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,1,0,0,0|2,0,0]=4 1331 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,1,0,0,0|2,0,0]=4 1332 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,1,0,0,0|1,0,1]=4 1333 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,1,0,0,0|1,0,1]=4 1334 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,1,0,0,0|1,0,1]=4 1335 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,1,0,0,0|1,0,1]=4 1336 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,1,0,0,0|1,0,0]=3 1337 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,1,0,0,0|1,0,0]=3 1338 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,1,0,0,0|1,0,0]=3 1339 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,1,0,0,0|2,0,0]=4 1340 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,1,0,0,0|2,0,0]=4 1341 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,1,0,0,0|2,0,0]=4 1342 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,1,0,0,0|2,0,0]=4 1343 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,1,0,0,0|2,0,0]=4 1344 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,1,0,0,0|2,0,0]=4 1345 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,1,0,0,0|2,0,0]=4 1346 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,1,0,0,0|2,0,0]=4 1347 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,1,0,0,0|2,0,0]=4 1348 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,1,0,0,0|2,0,0]=4 1349 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,1,0,0,0|2,0,0]=4 1350 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,1,0,0,0|2,0,0]=4 1351 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,1,0,0,0|2,0,0]=4 1352 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,1,0,0,0|2,0,0]=4 1353 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,1,0,0,0|2,0,0]=4 1354 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,1,0,0,0|2,0,0]=4 1355 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,1,0,0,0|2,0,0]=4 1356 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,1,0,0,0|2,0,0]=4 1357 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,1,0,0,0|2,0,0]=4 1358 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,1,0,0,0|2,0,0]=4 1359 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,1,1,0,0,0|2,0,0]=4 1360 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,1,1,0,0,0|2,0,0]=4 1361 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,1,1,0,0,0|2,0,0]=4 1362 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,1,1,0,0,0|2,0,0]=4 1363 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,1,1,0,0,0|2,0,0]=4 1364 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,1,1,0,0,0|2,0,0]=4 1365 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,1,1,0,0,0|2,0,0]=4 1366 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,1,1,0,0,0|2,0,0]=4 1367 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,1,1,0,0,0|2,0,0]=4 1368 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,1,1,0,0,0|2,0,0]=4 1369 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,1,1,0,0,0|2,0,0]=4 1370 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,1,1,0,0,0|2,0,0]=4 1371 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,1,1,0,0,0|2,0,0]=4 1372 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,1,1,0,0,0|2,0,0]=4 1373 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,1,1,0,0,0|2,0,0]=4 1374 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,1,1,0,0,0|2,0,0]=4 1375 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,1,1,0,0,0|2,0,0]=4 1376 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,1,1,0,0,0|1,0,1]=4 1377 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,1,0,0,0|1,0,1]=4 1378 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,1,0,0,0|1,0,1]=4 1379 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,1,0,0,0|1,0,1]=4 1380 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,1,0,0,0|1,0,1]=4 1381 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,1,0,0,0|1,0,0]=3 1382 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,1,0,0,0|1,0,0]=3 1383 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,1,0,0,0|1,0,0]=3 1384 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,1,0,0,0|0,0,0]=2 1385 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,1,0,0,0|0,0,0]=2 1386 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,1,0,0,0|0,0,0]=2 1387 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,1,0,0,0|0,0,0]=2 1388 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,1,1,0,0,0|1,0,1]=4 1389 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,1,1,0,0,0|1,0,1]=4 1390 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,1,1,0,0,0|1,0,1]=4 1391 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,1,0,0,0|2,0,0]=4 1392 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,1,0,0,0|2,0,0]=4 1393 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,1,0,0,0|2,0,0]=4 1394 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,1,0,0,0|1,0,0]=3 1395 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,1,0,0,0|2,0,0]=4 1396 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,1,0,0,0|2,0,0]=4 1397 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,1,0,0,0|2,0,0]=4 1398 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,1,0,0,0|2,0,0]=4 1399 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,1,0,0,0|2,0,0]=4 1400 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,1,0,0,0|2,0,0]=4 1401 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,1,0,0,0|2,0,0]=4 1402 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,1,0,0,0|2,0,0]=4 1403 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,1,0,0,0|2,0,0]=4 1404 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,1,0,0,0|2,0,0]=4 1405 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,1,0,0,0|2,0,0]=4 1406 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,1,0,0,0|2,0,0]=4 1407 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,1,0,0,0|2,0,0]=4 1408 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,1,0,0,0|2,0,0]=4 1409 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,1,0,0,0|2,0,0]=4 1410 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,1,0,0,0|2,0,0]=4 1411 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,1,0,0,0|2,0,0]=4 1412 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,1,0,0,0|2,0,0]=4 1413 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,1,0,0,0|2,0,0]=4 1414 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,1,0,0,0|2,0,0]=4 1415 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,1,0,0,0|2,0,0]=4 1416 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,1,0,0,0|2,0,0]=4 1417 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,1,0,0,0|2,0,0]=4 1418 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,1,0,0,0|2,0,0]=4 1419 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,1,0,0,0|2,0,0]=4 1420 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,1,0,0,0|2,0,0]=4 1421 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,1,0,0,0|2,0,0]=4 1422 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,1,0,0,0|1,0,0]=3 1423 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,1,0,0,0|1,0,0]=3 1424 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,1,0,0,0|2,0,0]=4 1425 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,1,0,0,0|2,0,0]=4 1426 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,1,0,0,0|2,0,0]=4 1427 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,1,0,0,0|2,0,0]=4 1428 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,1,0,0,0|1,0,0]=3 1429 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,1,0,0,0|1,0,0]=3 1430 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,1,0,0,0|1,0,0]=3 1431 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,1,0,0,0|1,0,0]=3 1432 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,1,0,0,0|1,0,0]=3 1433 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,1,0,0,0|2,0,0]=4 1434 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,1,0,0,0|2,0,0]=4 1435 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,1,0,0,0|2,0,0]=4 1436 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,1,0,0,0|2,0,0]=4 1437 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,1,0,0,0|2,0,0]=4 1438 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,1,0,0,0|2,0,0]=4 1439 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,1,0,0,0|2,0,0]=4 1440 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,1,0,0,0|1,0,0]=3 1441 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,1,0,0,0|1,0,0]=3 1442 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,1,0,0,0|1,0,0]=3 1443 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,1,0,0,0|1,0,0]=3 1444 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,1,0,0,0|1,0,0]=3 1445 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,1,0,0,0|1,0,0]=3 1446 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,1,0,0,0|1,0,0]=3 1447 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,1,0,0,0|2,0,0]=4 1448 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,1,0,0,0|2,0,0]=4 1449 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,1,0,0,0|2,0,0]=4 1450 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,1,0,0,0|2,0,0]=4 1451 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,1,0,0,0|2,0,0]=4 1452 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,1,1,0,0,0|1,0,1]=4 1453 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,1,0,0,0|1,0,0]=3 1454 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,1,0,0,0|2,0,0]=4 1455 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,1,0,0,0|2,0,0]=4 1456 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,1,0,0,0|2,0,0]=4 1457 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,1,0,0,0|2,0,0]=4 1458 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,1,0,0,0|1,0,0]=3 1459 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,1,0,0,0|1,0,0]=3 1460 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,1,0,0,0|1,0,0]=3 1461 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,1,0,0,0|1,0,0]=3 1462 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,1,0,0,0|1,0,0]=3 1463 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,1,0,0,0|2,0,0]=4 1464 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,1,0,0,0|2,0,0]=4 1465 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,1,1,0,0,0|2,0,0]=4 1466 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,1,0,0,0|2,0,0]=4 1467 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,1,0,0,0|2,0,0]=4 1468 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,1,0,0,0|2,0,0]=4 1469 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,1,0,0,0|2,0,0]=4 1470 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,1,0,0,0|2,0,0]=4 1471 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,1,0,0,0|2,0,0]=4 1472 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,1,1,0,0,0|2,0,0]=4 1473 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,1,1,0,0,0|2,0,0]=4 1474 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,1,0,0,0|2,0,0]=4 1475 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,1,0,0,0|2,0,0]=4 1476 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,1,0,0,0|2,0,0]=4 1477 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,1,0,0,0|1,0,0]=3 1478 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,1,0,0,0|1,0,0]=3 1479 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,1,0,0,0|2,0,0]=4 1480 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,1,0,0,0|2,0,0]=4 1481 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,1,0,0,0|2,0,0]=4 1482 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,1,0,0,0|2,0,0]=4 1483 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,1,0,0,0|2,0,0]=4 1484 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,1,0,0,0|2,0,0]=4 1485 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,1,0,0,0|2,0,0]=4 1486 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,1,0,0,0|2,0,0]=4 1487 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,1,0,0,0|2,0,0]=4 1488 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,1,0,0,0|2,0,0]=4 1489 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,1,0,0,0|2,0,0]=4 1490 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,1,0,0,0|2,0,0]=4 1491 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,1,0,0,0|2,0,0]=4 1492 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,1,0,0,0|2,0,0]=4 1493 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,1,0,0,0|2,0,0]=4 1494 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,1,1,0,0,0|2,0,0]=4 1495 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,1,0,0,0|2,0,0]=4 1496 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,1,1,0,0,0|2,0,0]=4 1497 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,1,1,0,0,0|2,0,0]=4 1498 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,1,1,0,0,0|2,0,0]=4 1499 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,1,1,0,0,0|2,0,0]=4 1500 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,1,0,0,0|2,0,0]=4 1501 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,1,0,0,0|2,0,0]=4 1502 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,1,0,0,0|2,0,0]=4 1503 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,1,0,0,0|2,0,0]=4 1504 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,1,0,0,0|2,0,0]=4 1505 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,1,0,0,0|2,0,0]=4 1506 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,1,0,0,0|2,0,0]=4 1507 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,1,1,0,0,0|2,0,0]=4 1508 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,1,1,0,0,0|2,0,0]=4 1509 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,1,1,0,0,0|2,0,0]=4 1510 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,1,1,0,0,0|2,0,0]=4 1511 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,1,1,0,0,0|2,0,0]=4 1512 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [0,1,1,0,0,0|2,0,0]=4 1513 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [0,1,1,0,0,0|2,0,0]=4 1514 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,1,1,0,0,0|2,0,0]=4 1515 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,1,1,0,0,0|2,0,0]=4 1516 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,1,1,0,0,0|2,0,0]=4 1517 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,1,1,0,0,0|2,0,0]=4 1518 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,1,1,0,0,0|2,0,0]=4 1519 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,1,1,0,0,0|2,0,0]=4 1520 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,1,1,0,0,0|2,0,0]=4 1521 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,1,1,0,0,0|2,0,0]=4 1522 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,1,1,0,0,0|2,0,0]=4 1523 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,1,1,0,0,0|2,0,0]=4 1524 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,1,1,0,0,0|2,0,0]=4 1525 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,1,0,0,0|2,0,0]=4 1526 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,1,0,0,0|2,0,0]=4 1527 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,1,0,0,0|2,0,0]=4 1528 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,1,0,0,0|2,0,0]=4 1529 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,1,0,0,0|2,0,0]=4 1530 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,1,0,0,0|2,0,0]=4 1531 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [0,1,1,0,0,0|0,0,2]=4 1532 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [0,1,1,0,0,0|0,0,2]=4 1533 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,1,1,0,0,0|1,0,1]=4 1534 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,1,1,0,0,0|1,0,1]=4 1535 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,1,1,0,0,0|2,0,0]=4 1536 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,1,1,0,0,0|2,0,0]=4 1537 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,1,1,0,0,0|2,0,0]=4 1538 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,1,1,0,0,0|2,0,0]=4 1539 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,1,1,0,0,0|2,0,0]=4 1540 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,1,1,0,0,0|2,0,0]=4 1541 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,1,1,0,0,0|2,0,0]=4 1542 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,1,1,0,0,0|2,0,0]=4 1543 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,1,1,0,0,0|2,0,0]=4 1544 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,1,1,0,0,0|2,0,0]=4 1545 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,1,1,0,0,0|2,0,0]=4 1546 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,1,1,0,0,0|2,0,0]=4 1547 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,1,1,0,0,0|2,0,0]=4 1548 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,1,1,0,0,0|2,0,0]=4 1549 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,1,1,0,0,0|2,0,0]=4 1550 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,1,1,0,0,0|2,0,0]=4 1551 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,1,1,0,0,0|2,0,0]=4 1552 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,1,1,0,0,0|2,0,0]=4 1553 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,1,1,0,0,0|2,0,0]=4 1554 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,1,1,0,0,0|2,0,0]=4 1555 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,1,1,0,0,0|2,0,0]=4 1556 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,1,1,0,0,0|2,0,0]=4 1557 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,1,1,0,0,0|2,0,0]=4 1558 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,1,1,0,0,0|2,0,0]=4 1559 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [0,1,1,0,0,0|0,0,2]=4 1560 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [0,1,1,0,0,0|0,0,2]=4 1561 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,1,1,0,0,0|2,0,0]=4 1562 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,1,1,0,0,0|2,0,0]=4 1563 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,1,1,0,0,0|2,0,0]=4 1564 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,1,1,0,0,0|2,0,0]=4 1565 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,1,1,0,0,0|2,0,0]=4 1566 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,1,1,0,0,0|2,0,0]=4 1567 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,1,1,0,0,0|2,0,0]=4 1568 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,1,1,0,0,0|2,0,0]=4 1569 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,1,1,0,0,0|2,0,0]=4 1570 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,1,1,0,0,0|2,0,0]=4 1571 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,1,1,0,0,0|2,0,0]=4 1572 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,1,1,0,0,0|2,0,0]=4 1573 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,1,1,0,0,0|2,0,0]=4 1574 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,1,1,0,0,0|2,0,0]=4 1575 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,1,1,0,0,0|2,0,0]=4 1576 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,1,1,0,0,0|2,0,0]=4 1577 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,1,1,0,0,0|2,0,0]=4 1578 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,1,1,0,0,0|2,0,0]=4 1579 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,1,1,0,0,0|2,0,0]=4 1580 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,1,1,0,0,0|2,0,0]=4 1581 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,1,1,0,0,0|2,0,0]=4 1582 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,1,1,0,0,0|2,0,0]=4 1583 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,1,1,0,0,0|2,0,0]=4 1584 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,1,1,0,0,0|2,0,0]=4 1585 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,1,1,0,0,0|1,0,0]=3 1586 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,1,1,0,0,0|1,0,0]=3 1587 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [0,1,1,0,0,0|2,0,0]=4 1588 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,1,1,0,0,0|2,0,0]=4 1589 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,1,1,0,0,0|2,0,0]=4 1590 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,1,1,0,0,0|2,0,0]=4 1591 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,1,1,0,0,0|2,0,0]=4 1592 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,1,1,0,0,0|2,0,0]=4 1593 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,1,1,0,0,0|2,0,0]=4 1594 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,1,1,0,0,0|2,0,0]=4 1595 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,1,1,0,0,0|2,0,0]=4 1596 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,1,1,0,0,0|2,0,0]=4 1597 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,1,1,0,0,0|2,0,0]=4 1598 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,1,1,0,0,0|2,0,0]=4 1599 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,1,1,0,0,0|2,0,0]=4 1600 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,1,1,0,0,0|2,0,0]=4 1601 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,1,1,0,0,0|2,0,0]=4 1602 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,1,1,0,0,0|2,0,0]=4 1603 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,1,1,0,0,0|2,0,0]=4 1604 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,1,1,0,0,0|2,0,0]=4 1605 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,1,1,0,0,0|2,0,0]=4 1606 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,1,1,0,0,0|2,0,0]=4 1607 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,1,1,0,0,0|2,0,0]=4 1608 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,1,1,0,0,0|2,0,0]=4 1609 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,1,1,0,0,0|2,0,0]=4 1610 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,1,1,0,0,0|2,0,0]=4 1611 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,1,1,0,0,0|2,0,0]=4 1612 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,1,1,0,0,0|2,0,0]=4 1613 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,1,1,0,0,0|2,0,0]=4 1614 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,1,1,0,0,0|2,0,0]=4 1615 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,1,1,0,0,0|2,0,0]=4 1616 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,1,1,0,0,0|2,0,0]=4 1617 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,1,1,0,0,0|2,0,0]=4 1618 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,1,1,0,0,0|2,0,0]=4 1619 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,1,1,0,0,0|2,0,0]=4 1620 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,1,1,0,0,0|2,0,0]=4 1621 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,1,1,0,0,0|2,0,0]=4 1622 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,1,1,0,0,0|1,0,1]=4 1623 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,1,1,0,0,0|1,0,1]=4 1624 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,1,1,0,0,0|1,0,1]=4 1625 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,1,1,0,0,0|0,0,0]=2 1626 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,1,1,0,0,0|1,0,1]=4 1627 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,1,1,0,0,0|1,0,1]=4 1628 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,1,1,0,0,0|1,0,1]=4 1629 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,1,1,0,0,0|0,0,2]=4 1630 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,1,1,0,0,0|0,0,2]=4 1631 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,1,1,0,0,0|0,0,2]=4 1632 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,1,1,0,0,0|0,0,2]=4 1633 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,1,1,0,0,0|0,1,1]=4 1634 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,1,1,0,0,0|1,0,0]=3 1635 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,1,1,0,0,0|1,0,0]=3 1636 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,1,1,0,0,0|1,0,0]=3 1637 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,1,1,0,0,0|1,0,0]=3 1638 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,1,1,0,0,0|1,0,0]=3 1639 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,1,1,0,0,0|1,0,0]=3 1640 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,1,1,0,0,0|1,0,0]=3 1641 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,1,1,0,0,0|1,0,1]=4 1642 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,1,1,0,0,0|2,0,0]=4 1643 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,1,1,0,0,0|2,0,0]=4 1644 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,1,1,0,0,0|1,0,0]=3 1645 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,1,1,0,0,0|1,0,0]=3 1646 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,1,1,0,0,0|1,0,1]=4 1647 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,1,1,0,0,0|1,0,1]=4 1648 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,1,1,0,0,0|1,0,1]=4 1649 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,1,1,0,0,0|1,0,1]=4 1650 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,1,1,0,0,0|1,0,0]=3 1651 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,1,1,0,0,0|1,0,0]=3 1652 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,1,1,0,0,0|2,0,0]=4 1653 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,1,1,0,0,0|2,0,0]=4 1654 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,1,1,0,0,0|2,0,0]=4 1655 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,1,1,0,0,0|2,0,0]=4 1656 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,1,1,0,0,0|1,0,0]=3 1657 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,1,1,0,0,0|1,0,0]=3 1658 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,1,1,0,0,0|1,0,0]=3 1659 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,1,1,0,0,0|2,0,0]=4 1660 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,1,1,0,0,0|2,0,0]=4 1661 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,1,1,0,0,0|1,0,0]=3 1662 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,1,1,0,0,0|1,0,1]=4 1663 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,1,1,0,0,0|1,0,1]=4 1664 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,1,1,0,0,0|1,0,1]=4 1665 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,1,1,0,0,0|1,0,1]=4 1666 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,1,1,0,0,0|1,0,1]=4 1667 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,1,1,0,0,0|1,0,1]=4 1668 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,1,1,0,0,0|1,0,0]=3 1669 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,1,1,0,0,0|1,0,0]=3 1670 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,1,1,0,0,0|2,0,0]=4 1671 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,1,1,0,0,0|2,0,0]=4 1672 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,1,1,0,0,0|2,0,0]=4 1673 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,1,1,0,0,0|2,0,0]=4 1674 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,1,1,0,0,0|2,0,0]=4 1675 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,1,1,0,0,0|2,0,0]=4 1676 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,1,1,0,0,0|1,0,0]=3 1677 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,1,1,0,0,0|1,0,0]=3 1678 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,1,1,0,0,0|2,0,0]=4 1679 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,1,1,0,0,0|2,0,0]=4 1680 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,1,1,0,0,0|1,0,1]=4 1681 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,1,1,0,0,0|2,0,0]=4 1682 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,1,1,0,0,0|2,0,0]=4 1683 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,1,1,0,0,0|2,0,0]=4 1684 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,1,1,0,0,0|2,0,0]=4 1685 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,1,1,0,0,0|2,0,0]=4 1686 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,1,1,0,0,0|2,0,0]=4 1687 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,1,1,0,0,0|2,0,0]=4 1688 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,1,1,0,0,0|2,0,0]=4 1689 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,1,1,0,0,0|2,0,0]=4 1690 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,1,1,0,0,0|2,0,0]=4 1691 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,1,1,0,0,0|2,0,0]=4 1692 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,1,1,0,0,0|2,0,0]=4 1693 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,1,1,0,0,0|2,0,0]=4 1694 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,1,1,0,0,0|2,0,0]=4 1695 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,1,1,0,0,0|2,0,0]=4 1696 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,1,1,0,0,0|2,0,0]=4 1697 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,1,1,0,0,0|2,0,0]=4 1698 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,1,1,0,0,0|2,0,0]=4 1699 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,1,1,0,0,0|2,0,0]=4 1700 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,1,1,0,0,0|2,0,0]=4 1701 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,1,1,0,0,0|2,0,0]=4 1702 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,1,1,0,0,0|2,0,0]=4 1703 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,1,1,0,0,0|2,0,0]=4 1704 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,1,1,0,0,0|2,0,0]=4 1705 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,1,1,0,0,0|2,0,0]=4 1706 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,1,1,0,0,0|2,0,0]=4 1707 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,1,1,0,0,0|2,0,0]=4 1708 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,1,1,0,0,0|2,0,0]=4 1709 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,1,1,0,0,0|2,0,0]=4 1710 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,1,1,0,0,0|1,0,0]=3 1711 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,1,1,0,0,0|1,0,0]=3 1712 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,1,1,0,0,0|2,0,0]=4 1713 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,1,1,0,0,0|2,0,0]=4 1714 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,1,1,0,0,0|2,0,0]=4 1715 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,1,1,0,0,0|2,0,0]=4 1716 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,1,1,0,0,0|2,0,0]=4 1717 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,1,1,0,0,0|2,0,0]=4 1718 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,1,1,0,0,0|2,0,0]=4 1719 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,1,1,0,0,0|2,0,0]=4 1720 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,1,1,0,0,0|2,0,0]=4 1721 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,1,1,0,0,0|2,0,0]=4 1722 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,1,1,0,0,0|2,0,0]=4 1723 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,1,1,0,0,0|2,0,0]=4 1724 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,1,1,0,0,0|2,0,0]=4 1725 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,1,1,0,0,0|1,0,1]=4 1726 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,1,0,0,0|2,0,0]=4 1727 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [0,1,1,0,0,0|2,0,0]=4 1728 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,1,1,0,0,0|2,0,0]=4 1729 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [0,1,1,0,0,0|2,0,0]=4 1730 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,1,1,0,0,0|2,0,0]=4 1731 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,1,1,0,0,0|2,0,0]=4 1732 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,1,1,0,0,0|2,0,0]=4 1733 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,1,0,0,0|1,0,1]=4 1734 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,1,0,0,0|1,0,1]=4 1735 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,1,0,0,0|1,0,1]=4 1736 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,1,0,0,0|1,0,1]=4 1737 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,1,0,0,0|1,0,1]=4 1738 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,1,1,0,0,0|2,0,0]=4 1739 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,1,1,0,0,0|2,0,0]=4 1740 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,1,1,0,0,0|2,0,0]=4 1741 B9R0.12 CCC(C)N(CC)CC=O 2230a_100000732650_200015260668 [0,1,1,0,0,0|2,0,0]=4 1742 B9R0.12 CCC(C)N(CC)CC=O 269982a_100000732650_200015260668 [0,1,1,0,0,0|2,0,0]=4 1743 B9R0.12 CCCC(CC)N(C)CC 269982a_100000225621_100011219200 [0,1,1,0,0,0|1,0,1]=4 1744 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,1,1,0,0,0|1,0,0]=3 1745 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,1,1,0,0,0|1,0,0]=3 1746 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,1,1,0,0,0|1,0,0]=3 1747 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,1,1,0,0,0|1,0,0]=3 1748 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,1,1,0,0,0|0,0,0]=2 1749 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,1,1,0,0,0|0,0,0]=2 1750 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,1,1,0,0,0|0,0,0]=2 1751 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,1,1,0,0,0|0,0,0]=2 1752 B9R0.14 CCCC(CC)NC(C)C 2230a_100000747048_100000210206 [0,1,1,0,0,0|1,0,1]=4 1753 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,1,1,0,0,0|2,0,0]=4 1754 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,1,1,0,0,0|2,0,0]=4 1755 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,1,1,0,0,0|2,0,0]=4 1756 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,1,1,0,0,0|2,0,0]=4 1757 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,1,1,0,0,0|1,0,0]=3 1758 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,1,1,0,0,0|1,0,0]=3 1759 B9R0.14 CCN(CC=O)CC(C)C 2230a_100000738554_200015260668 [0,1,1,0,0,0|2,0,0]=4 1760 B9R0.14 CCN(CC=O)CC(C)C 269982a_100000738554_200015260668 [0,1,1,0,0,0|2,0,0]=4 1761 B9R0.14 CCN(CC=O)C[C@H](C)O 2230a_100000729506_200015260668 [0,1,1,0,0,0|2,0,0]=4 1762 B9R0.14 CCN(CC=O)C[C@H](C)O 269982a_100000729506_200015260668 [0,1,1,0,0,0|2,0,0]=4 1763 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,1,1,0,0,0|2,0,0]=4 1764 B9R0.14 CC[C@H](CC#N)NC(=O)C 11a_200009818565_100015343762 [0,1,1,0,0,0|1,0,1]=4 1765 B9R0.14 CC[C@H](CC#N)NC(=O)C 1626a_200009818565_100015343762 [0,1,1,0,0,0|1,0,1]=4 1766 B9R0.14 CC[C@H](CC#N)NC(=O)C 240690a_200009818565_100015343762 [0,1,1,0,0,0|1,0,1]=4 1767 B9R0.14 CC[C@H](CC#N)NC(=O)C 527a_200009818565_100103153847 [0,1,1,0,0,0|1,0,1]=4 1768 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [0,1,1,0,0,0|2,0,0]=4 1769 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [0,1,1,0,0,0|2,0,0]=4 1770 B9R0.15 CCCN(CC=O)C(C)C 2230a_106256033942_200015260668 [0,1,1,0,0,0|2,0,0]=4 1771 B9R0.15 CCCN(CC=O)C(C)C 269982a_106256033942_200015260668 [0,1,1,0,0,0|2,0,0]=4 1772 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [0,1,1,0,0,0|2,0,0]=4 1773 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [0,1,1,0,0,0|2,0,0]=4 1774 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [0,1,1,0,0,0|2,0,0]=4 1775 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [0,1,1,0,0,0|2,0,0]=4 1776 B9R0.17 CCCC(CCC)NCC 2230a_100011207992_100000210202 [0,1,1,0,0,0|1,0,1]=4 1777 B9R0.17 CCCC(CCC)NCC 270004a_100015525214_100000210088 [0,1,1,0,0,0|1,0,1]=4 1778 B9R0.17 CCCC(CCC)NCC 34a_100011207992_100000210202 [0,1,1,0,0,0|1,0,1]=4 1779 B9R0.17 CCCC(CCC)NCF 34a_100011207992_100015361967 [0,1,1,0,0,0|1,0,1]=4 1780 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [0,1,1,0,0,0|2,0,0]=4 1781 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [0,1,1,0,0,0|2,0,0]=4 1782 B9R0.17 CCCN(CC=O)CCO 2230a_100000211420_200015260668 [0,1,1,0,0,0|2,0,0]=4 1783 B9R0.17 CCCN(CC=O)CCO 269982a_100000211420_200015260668 [0,1,1,0,0,0|2,0,0]=4 1784 B9R0.17 CCC[C@@H](CCO)NCC 2230a_100015193777_100000210202 [0,1,1,0,0,0|1,0,1]=4 1785 B9R0.17 CCC[C@@H](CCO)NCC 34a_100015193777_100000210202 [0,1,1,0,0,0|1,0,1]=4 1786 B9R0.17 CCC[C@@H](CCO)NCF 34a_100015193777_100015361967 [0,1,1,0,0,0|1,0,1]=4 1787 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [1,1,0,0,0,0|0,0,2]=4 1788 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [1,1,0,0,0,0|1,0,1]=4 1789 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [1,1,0,0,0,0|1,0,1]=4 1790 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [1,1,0,0,0,0|1,0,1]=4 1791 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [1,1,0,0,0,0|0,0,1]=3 1792 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [1,1,0,0,0,0|0,0,1]=3 1793 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [1,1,0,0,0,0|0,0,1]=3 1794 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [1,1,0,0,0,0|1,0,1]=4 1795 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [1,1,0,0,0,0|0,0,1]=3 1796 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [1,1,0,0,0,0|0,0,1]=3 1797 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [1,1,0,0,0,0|1,0,1]=4 1798 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [1,1,0,0,0,0|1,0,1]=4 1799 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [1,1,0,0,0,0|1,0,1]=4 1800 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [1,1,0,0,0,0|1,0,1]=4 1801 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [1,1,0,0,0,0|1,0,1]=4 1802 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [1,1,0,0,0,0|0,0,1]=3 1803 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [1,1,0,0,0,0|0,0,1]=3 1804 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [1,1,0,0,0,0|1,0,1]=4 1805 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,1,0,0,0,0|0,0,1]=3 1806 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,1,0,0,0,0|0,0,1]=3 1807 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [1,1,0,0,0,0|1,0,1]=4 1808 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,1,0,0,0,0|0,0,1]=3 1809 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,1,0,0,0,0|0,0,1]=3 1810 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,1,0,0,0,0|0,0,1]=3 1811 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [1,1,0,0,0,0|0,0,1]=3 1812 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [1,1,0,0,0,0|0,0,1]=3 1813 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [1,1,0,0,0,0|1,0,1]=4 1814 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [1,1,0,0,0,0|1,0,1]=4 1815 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [1,1,0,0,0,0|1,0,1]=4 1816 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [1,1,0,0,0,0|0,0,1]=3 1817 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,1,0,0,0,0|0,0,2]=4 1818 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,1,0,0,0,0|0,0,2]=4 1819 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,1,0,0,0,0|0,0,0]=2 1820 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,1,0,0,0,0|0,0,0]=2 1821 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,1,0,0,0,0|1,0,0]=3 1822 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,1,0,0,0,0|1,0,0]=3 1823 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,1,0,0,0,0|1,0,0]=3 1824 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,1,0,0,0,0|1,0,0]=3 1825 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,1,0,0,0,0|1,0,0]=3 1826 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,1,0,0,0,0|1,0,0]=3 1827 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1828 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [1,1,0,0,0,0|2,0,0]=4 1829 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [1,1,0,0,0,0|2,0,0]=4 1830 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [1,1,0,0,0,0|2,0,0]=4 1831 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,1,0,0,0,0|2,0,0]=4 1832 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,1,0,0,0,0|2,0,0]=4 1833 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,1,0,0,0,0|2,0,0]=4 1834 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,1,0,0,0,0|2,0,0]=4 1835 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [1,1,0,0,0,0|2,0,0]=4 1836 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [1,1,0,0,0,0|2,0,0]=4 1837 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [1,1,0,0,0,0|2,0,0]=4 1838 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,1,0,0,0,0|0,0,2]=4 1839 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [1,1,0,0,0,0|0,0,1]=3 1840 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [1,1,0,0,0,0|0,0,1]=3 1841 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [1,1,0,0,0,0|0,0,1]=3 1842 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [1,1,0,0,0,0|0,0,1]=3 1843 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [1,1,0,0,0,0|0,0,1]=3 1844 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [1,1,0,0,0,0|1,0,1]=4 1845 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [1,1,0,0,0,0|1,0,1]=4 1846 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [1,1,0,0,0,0|1,0,1]=4 1847 B9R1.6 CN(C)C1CCNCC1 270004a_100102631434_100015192401 [1,1,0,0,0,0|1,0,1]=4 1848 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [1,1,0,0,0,0|1,0,1]=4 1849 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [1,1,0,0,0,0|1,0,1]=4 1850 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [1,1,0,0,0,0|1,0,1]=4 1851 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [1,1,0,0,0,0|1,0,1]=4 1852 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [1,1,0,0,0,0|1,0,1]=4 1853 B9R1.6 CN(C)C1CCSCC1 2230a_100015184757_200000210301 [1,1,0,0,0,0|1,0,1]=4 1854 B9R1.6 CN(C)C1CCSCC1 269982a_100015184757_200000210301 [1,1,0,0,0,0|1,0,1]=4 1855 B9R1.6 CN(C)C1CCSCC1 269982a_100102631434_100000069128 [1,1,0,0,0,0|1,0,1]=4 1856 B9R1.6 CN(C)C1CCSCC1 270004a_100102631434_100000203788 [1,1,0,0,0,0|1,0,1]=4 1857 B9R1.6 CN(C)C1CCSCC1 34a_100015184757_200000210301 [1,1,0,0,0,0|1,0,1]=4 1858 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [1,1,0,0,0,0|0,0,1]=3 1859 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [1,1,0,0,0,0|0,0,1]=3 1860 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [1,1,0,0,0,0|0,0,1]=3 1861 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [1,1,0,0,0,0|1,0,1]=4 1862 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [1,1,0,0,0,0|1,0,1]=4 1863 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [1,1,0,0,0,0|1,0,1]=4 1864 B9R1.6 CN([13CH3])C1CCSCC1 2230a_100015184757_200025704644 [1,1,0,0,0,0|1,0,1]=4 1865 B9R1.6 CN([13CH3])C1CCSCC1 269982a_100015184757_200025704644 [1,1,0,0,0,0|1,0,1]=4 1866 B9R1.6 CN([13CH3])C1CCSCC1 34a_100015184757_200025704644 [1,1,0,0,0,0|1,0,1]=4 1867 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,1,0,0,0,0|0,0,2]=4 1868 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,1,0,0,0,0|0,0,0]=2 1869 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,1,0,0,0,0|1,0,0]=3 1870 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,1,0,0,0,0|1,0,0]=3 1871 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,1,0,0,0,0|1,0,0]=3 1872 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,1,0,0,0,0|1,0,0]=3 1873 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1874 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [1,1,0,0,0,0|2,0,0]=4 1875 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,1,0,0,0,0|0,0,2]=4 1876 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,1,0,0,0,0|0,0,1]=3 1877 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,1,0,0,0,0|0,0,1]=3 1878 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,1,0,0,0,0|1,0,1]=4 1879 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,1,0,0,0,0|1,0,1]=4 1880 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,1,0,0,0,0|0,0,2]=4 1881 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,1,0,0,0,0|0,0,2]=4 1882 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,1,0,0,0,0|0,0,1]=3 1883 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,1,0,0,0,0|0,0,1]=3 1884 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,1,0,0,0,0|0,0,1]=3 1885 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,1,0,0,0,0|0,0,1]=3 1886 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,1,0,0,0,0|0,0,1]=3 1887 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,1,0,0,0,0|0,0,1]=3 1888 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [1,1,0,0,0,0|1,0,1]=4 1889 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [1,1,0,0,0,0|1,0,1]=4 1890 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,1,0,0,0,0|0,0,1]=3 1891 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,1,0,0,0,0|0,0,1]=3 1892 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,1,0,0,0,0|1,0,1]=4 1893 B9R1.15 CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200000210301 [1,1,0,0,0,0|1,0,1]=4 1894 B9R1.15 CN[C@H]1CCOC[C@@H]1F 34a_100016994078_200000210301 [1,1,0,0,0,0|1,0,1]=4 1895 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [1,1,0,0,0,0|1,0,1]=4 1896 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,1,0,0,0,0|1,0,1]=4 1897 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,1,0,0,0,0|1,0,1]=4 1898 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,1,0,0,0,0|1,0,1]=4 1899 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,1,0,0,0,0|1,0,1]=4 1900 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,1,0,0,0,0|1,0,1]=4 1901 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,1,0,0,0,0|1,0,1]=4 1902 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,1,0,0,0,0|1,0,1]=4 1903 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,1,0,0,0,0|1,0,1]=4 1904 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,1,0,0,0,0|1,0,1]=4 1905 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,1,0,0,0,0|1,0,1]=4 1906 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,1,0,0,0,0|1,0,1]=4 1907 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,1,0,0,0,0|1,0,1]=4 1908 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,1,0,0,0,0|1,0,1]=4 1909 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,1,0,0,0,0|0,0,1]=3 1910 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,1,0,0,0,0|0,0,1]=3 1911 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,1,0,0,0,0|1,0,1]=4 1912 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 2230a_100016994078_200025704644 [1,1,0,0,0,0|1,0,1]=4 1913 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 34a_100016994078_200025704644 [1,1,0,0,0,0|1,0,1]=4 1914 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [1,1,0,0,0,0|1,0,1]=4 1915 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,1,0,0,0,0|1,0,1]=4 1916 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,1,0,0,0,0|1,0,1]=4 1917 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,1,0,0,0,0|1,0,1]=4 1918 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,1,0,0,0,0|1,0,1]=4 1919 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,1,0,0,0,0|1,0,1]=4 1920 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,1,0,0,0,0|1,0,1]=4 1921 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,1,0,0,0,0|1,0,1]=4 1922 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,1,0,0,0,0|1,0,1]=4 1923 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,1,0,0,0,0|1,0,1]=4 1924 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [1,1,0,0,0,0|0,0,1]=3 1925 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [1,1,0,0,0,0|0,0,1]=3 1926 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [1,1,0,0,0,0|1,0,1]=4 1927 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [1,1,0,0,0,0|1,0,1]=4 1928 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [1,1,0,0,0,0|1,0,1]=4 1929 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [1,1,0,0,0,0|1,0,1]=4 1930 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [1,1,0,0,0,0|0,0,1]=3 1931 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [1,1,0,0,0,0|0,0,1]=3 1932 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [1,1,0,0,0,0|1,0,1]=4 1933 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [1,1,0,0,0,0|1,0,1]=4 1934 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [1,1,0,0,0,0|1,0,1]=4 1935 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [1,1,0,0,0,0|1,0,1]=4 1936 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,1,0,0,1,0|1,0,1]=4 1937 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,0,1,0|1,0,1]=4 1938 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,0,1,0|1,0,1]=4 1939 B9R1.7 C[C@@H]1CCN(C1)CC=O 2230a_100016987628_200015260668 [0,1,0,0,1,0|2,0,0]=4 1940 B9R1.7 C[C@@H]1CCN(C1)CC=O 269982a_100016987628_200015260668 [0,1,0,0,1,0|2,0,0]=4 1941 B9R1.7 C[C@@H]1CCN(C1)CC=O 34a_100016987628_200009817547 [0,1,0,0,1,0|2,0,0]=4 1942 B9R1.7 O=CCN1CCC(C1)O 2230a_100011215560_200015260668 [0,1,0,0,1,0|2,0,0]=4 1943 B9R1.7 O=CCN1CCC(C1)O 269982a_100011215560_200015260668 [0,1,0,0,1,0|2,0,0]=4 1944 B9R1.7 O=CCN1CC[C@@H](C1)F 2230a_100015203821_200015260668 [0,1,0,0,1,0|2,0,0]=4 1945 B9R1.7 O=CCN1CC[C@@H](C1)F 269982a_100015203821_200015260668 [0,1,0,0,1,0|2,0,0]=4 1946 B9R1.7 O=CCN1CC[C@@H](C1)F 34a_100015203821_200009817547 [0,1,0,0,1,0|2,0,0]=4 1947 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,0,1,0|2,0,0]=4 1948 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,1,0,0,1,0|1,0,1]=4 1949 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,1,0,0,1,0|1,0,1]=4 1950 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,1,0,0,1,0|1,0,1]=4 1951 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,1,0,0,1,0|1,0,1]=4 1952 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,1,0,0,1,0|1,0,1]=4 1953 B9R1.11 CN(CF)C1CCCC1 269982a_100000207505_100015361967 [0,1,0,0,1,0|1,0,1]=4 1954 B9R1.11 CN(CF)C1CCCC1 34a_100000207505_100015361967 [0,1,0,0,1,0|1,0,1]=4 1955 B9R1.12 C#CCNC1CCCC1 2230a_100000211070_100000038162 [0,1,0,0,1,0|1,0,1]=4 1956 B9R1.12 C#CCNC1CCCC1 34a_100000211070_100000184674 [0,1,0,0,1,0|1,0,1]=4 1957 B9R1.12 C#CCNC1CCCC1 34a_100000212058_100000179811 [0,1,0,0,1,0|1,0,1]=4 1958 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [0,1,0,0,1,0|1,0,0]=3 1959 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [0,1,0,0,1,0|1,0,0]=3 1960 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [0,1,0,0,1,0|1,0,0]=3 1961 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [0,1,0,0,1,0|1,0,0]=3 1962 B9R1.12 C=CCNC1CCOC1 2230a_100020586998_100000731011 [0,1,0,0,1,0|2,0,0]=4 1963 B9R1.12 C=CCNC1CCOC1 270004a_100020586998_100000752484 [0,1,0,0,1,0|2,0,0]=4 1964 B9R1.12 C=CCNC1CCSC1 270004a_100020586998_100000212027 [0,1,0,0,1,0|2,0,0]=4 1965 B9R1.12 C=CCN[C@@H]1CCOC1 2230a_200015188469_100000210623 [0,1,0,0,1,0|2,0,0]=4 1966 B9R1.12 C=CCN[C@H]1CCOC1 2230a_100015188467_100000210623 [0,1,0,0,1,0|2,0,0]=4 1967 B9R1.12 C=CCN[C@H]1CCOC1 34a_100015188467_100015514636 [0,1,0,0,1,0|2,0,0]=4 1968 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [0,1,0,0,1,0|2,0,0]=4 1969 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [0,1,0,0,1,0|2,0,0]=4 1970 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [0,1,0,0,1,0|2,0,0]=4 1971 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [0,1,0,0,1,0|2,0,0]=4 1972 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [0,1,0,0,1,0|2,0,0]=4 1973 B9R1.12 CC=NNC1CCCC1 4a_100000737850_200000210099 [0,1,0,0,1,0|1,0,0]=3 1974 B9R1.12 CC=NNC1CCOC1 4a_100000690549_200000210099 [0,1,0,0,1,0|2,0,0]=4 1975 B9R1.12 CC=NNC1CCSC1 4a_200000731317_200000210099 [0,1,0,0,1,0|2,0,0]=4 1976 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,1,0,0,1,0|1,0,1]=4 1977 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,1,0,0,1,0|1,0,1]=4 1978 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,1,0,0,1,0|1,0,1]=4 1979 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,1,0,0,1,0|1,0,1]=4 1980 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,1,0,0,1,0|1,0,1]=4 1981 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,1,0,0,1,0|1,0,1]=4 1982 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,1,0,0,1,0|1,0,1]=4 1983 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [0,1,0,0,1,0|0,0,2]=4 1984 B9R1.12 CSCNC1CCCC1 2230a_100000211070_100011218213 [0,1,0,0,1,0|0,1,1]=4 1985 B9R1.12 CSCNC1CCCC1 34a_100000211070_100011218213 [0,1,0,0,1,0|0,1,1]=4 1986 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [0,1,0,0,1,0|1,0,1]=4 1987 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [0,1,0,0,1,0|1,0,1]=4 1988 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [0,1,0,0,1,0|1,0,1]=4 1989 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [0,1,0,0,1,0|1,0,1]=4 1990 B9R1.12 N#CCNC1CCCC1 2230a_100000211070_100011215382 [0,1,0,0,1,0|1,0,1]=4 1991 B9R1.12 O=CCNC1CC=CC1 2230a_100015188752_200015260668 [0,1,0,0,1,0|0,0,2]=4 1992 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [0,1,0,0,1,0|0,0,0]=2 1993 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [0,1,0,0,1,0|0,0,0]=2 1994 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [0,1,0,0,1,0|1,0,0]=3 1995 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [0,1,0,0,1,0|1,0,0]=3 1996 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [0,1,0,0,1,0|1,0,0]=3 1997 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [0,1,0,0,1,0|1,0,0]=3 1998 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [0,1,0,0,1,0|1,0,0]=3 1999 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [0,1,0,0,1,0|2,0,0]=4 2000 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [0,1,0,0,1,0|2,0,0]=4 2001 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [0,1,0,0,1,0|2,0,0]=4 2002 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [0,1,0,0,1,0|1,0,0]=3 2003 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [0,1,0,0,1,0|1,0,0]=3 2004 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [0,1,0,0,1,0|2,0,0]=4 2005 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,1,0,0,1,0|0,0,2]=4 2006 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,1,0,0,1,0|0,0,2]=4 2007 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,1,0,0,1,0|0,0,2]=4 2008 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,1,0,0,1,0|0,0,2]=4 2009 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,1,0,0,1,0|0,0,2]=4 2010 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,1,0,0,1,0|1,0,1]=4 2011 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,1,0,0,1,0|1,0,0]=3 2012 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,1,0,0,1,0|1,0,0]=3 2013 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,1,0,0,1,0|2,0,0]=4 2014 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,1,0,0,1,0|2,0,0]=4 2015 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,1,0,0,1,0|2,0,0]=4 2016 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,1,0,0,1,0|2,0,0]=4 2017 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [0,1,0,0,1,0|0,0,2]=4 2018 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [0,1,0,0,1,0|0,0,2]=4 2019 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [0,1,0,0,1,0|0,0,2]=4 2020 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [0,1,0,0,1,0|0,0,2]=4 2021 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,1,0,0,1,0|0,0,0]=2 2022 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,1,0,0,1,0|0,0,0]=2 2023 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,1,0,0,1,0|0,0,0]=2 2024 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,1,0,0,1,0|0,0,0]=2 2025 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,1,0,0,1,0|1,0,0]=3 2026 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,1,0,0,1,0|1,0,0]=3 2027 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,1,0,0,1,0|1,0,0]=3 2028 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,1,0,0,1,0|1,0,0]=3 2029 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,1,0,0,1,0|1,0,0]=3 2030 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,1,0,0,1,0|1,0,0]=3 2031 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [0,1,0,0,1,0|1,0,1]=4 2032 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [0,1,0,0,1,0|1,0,1]=4 2033 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [0,1,0,0,1,0|1,0,1]=4 2034 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [0,1,0,0,1,0|1,0,1]=4 2035 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,1,0,0,1,0|2,0,0]=4 2036 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,1,0,0,1,0|2,0,0]=4 2037 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,1,0,0,1,0|2,0,0]=4 2038 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,1,0,0,1,0|1,0,1]=4 2039 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,1,0,0,1,0|1,0,0]=3 2040 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,1,0,0,1,0|2,0,0]=4 2041 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,1,0,0,1,0|2,0,0]=4 2042 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,1,0,0,1,0|1,0,1]=4 2043 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [0,1,0,0,1,0|2,0,0]=4 2044 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [0,1,0,0,1,0|2,0,0]=4 2045 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [0,1,0,0,1,0|2,0,0]=4 2046 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [0,1,0,0,1,0|2,0,0]=4 2047 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [0,1,0,0,1,0|2,0,0]=4 2048 B11R1.110 O=CCN1CCCCC(C1)O 2230a_100025706797_200015260668 [0,1,0,0,0,1|2,0,0]=4 2049 B11R1.110 O=CCN1CCCCC(C1)O 269982a_100025706797_200015260668 [0,1,0,0,0,1|2,0,0]=4 2050 B11R1.110 O=CCN1CCOC[C@@H](C1)O 2230a_100016073750_200015260668 [0,1,0,0,0,1|2,0,0]=4 2051 B11R1.110 O=CCN1CCOC[C@@H](C1)O 269982a_100016073750_200015260668 [0,1,0,0,0,1|2,0,0]=4 2052 B11R1.135 CC1CCCN(CC1)CC=O 2230a_100025706717_200015260668 [0,1,0,0,0,1|2,0,0]=4 2053 B11R1.135 CC1CCCN(CC1)CC=O 269982a_100025706717_200015260668 [0,1,0,0,0,1|2,0,0]=4 2054 B11R1.135 CC1CCCN(CC1)CC=O 34a_100025706717_200009817547 [0,1,0,0,0,1|2,0,0]=4 2055 B11R1.135 CN1CCCN(CC1)CC=O 2230a_100000211313_200015260668 [0,1,0,0,0,1|2,0,0]=4 2056 B11R1.135 CN1CCCN(CC1)CC=O 269982a_100000211313_200015260668 [0,1,0,0,0,1|2,0,0]=4 2057 B11R1.135 O=CCN1CCCC(CC1)O 2230a_100015186869_200015260668 [0,1,0,0,0,1|2,0,0]=4 2058 B11R1.135 O=CCN1CCCC(CC1)O 269982a_100015186869_200015260668 [0,1,0,0,0,1|2,0,0]=4 2059 B11R1.203 C#CCNC1CCCCCC1 2230a_100000210984_100000038162 [0,1,0,0,0,1|1,0,1]=4 2060 B11R1.203 C#CCNC1CCCCCC1 34a_100000210984_100000184674 [0,1,0,0,0,1|1,0,1]=4 2061 B11R1.203 C#CCNC1CCCCCC1 34a_100000212058_100011217769 [0,1,0,0,0,1|1,0,1]=4 2062 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [0,1,0,0,0,1|1,0,0]=3 2063 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [0,1,0,0,0,1|1,0,0]=3 2064 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [0,1,0,0,0,1|1,0,0]=3 2065 B11R1.203 C=CCNC1CCCNCC1 270004a_100020586998_100015187895 [0,1,0,0,0,1|1,0,0]=3 2066 B11R1.203 C=CCNC1CSCCSC1 270004a_100020586998_100000068409 [0,1,0,0,0,1|2,0,0]=4 2067 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [0,1,0,0,0,1|2,0,0]=4 2068 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [0,1,0,0,0,1|2,0,0]=4 2069 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [0,1,0,0,0,1|2,0,0]=4 2070 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [0,1,0,0,0,1|2,0,0]=4 2071 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [0,1,0,0,0,1|2,0,0]=4 2072 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [0,1,0,0,0,1|1,0,1]=4 2073 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [0,1,0,0,0,1|1,0,1]=4 2074 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [0,1,0,0,0,1|1,0,1]=4 2075 B11R1.203 CCCNC1CCCNCC1 270004a_100020643023_100015187895 [0,1,0,0,0,1|1,0,1]=4 2076 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [0,1,0,0,0,1|1,0,1]=4 2077 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [0,1,0,0,0,1|1,0,1]=4 2078 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [0,1,0,0,0,1|1,0,1]=4 2079 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [0,1,0,0,0,1|1,0,1]=4 2080 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [0,1,0,0,0,1|0,0,2]=4 2081 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [0,1,0,0,0,1|0,1,1]=4 2082 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [0,1,0,0,0,1|0,1,1]=4 2083 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [0,1,0,0,0,1|1,0,1]=4 2084 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [0,1,0,0,0,1|1,0,1]=4 2085 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [0,1,0,0,0,1|1,0,1]=4 2086 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [0,1,0,0,0,1|1,0,1]=4 2087 B11R1.203 N#CCNC1CCCCCC1 2230a_100000210984_100011215382 [0,1,0,0,0,1|1,0,1]=4 2088 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,1,0,0,0,1|0,0,0]=2 2089 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,1,0,0,0,1|0,0,0]=2 2090 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,1,0,0,0,1|1,0,0]=3 2091 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,1,0,0,0,1|1,0,0]=3 2092 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,1,0,0,0,1|1,0,0]=3 2093 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,1,0,0,0,1|1,0,0]=3 2094 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,1,0,0,0,1|0,0,2]=4 2095 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,1,0,0,0,1|0,0,2]=4 2096 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,1,0,0,0,1|0,0,2]=4 2097 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,1,0,0,0,1|0,0,2]=4 2098 B11R1.203 OCCNC1CCCNCC1 270004a_100000210304_100015187895 [0,1,0,0,0,1|0,0,2]=4 2099 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,1,0,0,0,1|1,0,1]=4 2100 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,0,0,1|1,0,0]=3 2101 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,0,0,1|1,0,0]=3 2102 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,1,0,0,0,1|2,0,0]=4 2103 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,1,0,0,0,1|0,0,0]=2 2104 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,1,0,0,0,1|0,0,0]=2 2105 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,1,0,0,0,1|0,0,0]=2 2106 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,1,0,0,0,1|0,0,0]=2 2107 B11R1.742 CC(C)NC1CCCCCC1 2230a_100000210984_100000210206 [0,1,0,0,0,1|1,0,1]=4 2108 B11R1.742 CC(C)NC1CCCCCC1 34a_100000210984_100000210206 [0,1,0,0,0,1|1,0,1]=4 2109 B11R1.742 CC(C)NC1CCCCCC1 34a_100138425928_100011217769 [0,1,0,0,0,1|1,0,1]=4 2110 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,1,0,0,0,1|2,0,0]=4 2111 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,1,0,0,0,1|2,0,0]=4 2112 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,1,0,0,0,1|2,0,0]=4 2113 B11R1.742 NC(=O)CN1CCCOCC1 2230a_100000685342_100000747473 [0,1,0,0,0,1|2,0,0]=4 2114 B11R1.742 NC(=O)CN1CCCOCC1 269982a_100000685342_100000187820 [0,1,0,0,0,1|2,0,0]=4 2115 B11R1.742 NC(=O)CN1CCCOCC1 34a_100000685342_100000187820 [0,1,0,0,0,1|2,0,0]=4 2116 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,1,0,0,0,1|2,0,0]=4 2117 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,1,0,0,0,1|2,0,0]=4 2118 B11R1.742 O=C([O-])CN1CCCOCC1 269982a_100000685342_100020667443 [0,1,0,0,0,1|2,0,0]=4 2119 B11R1.742 O=C([O-])CN1CCCOCC1 34a_100000685342_100020667443 [0,1,0,0,0,1|2,0,0]=4 2120 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,1,0,0,0,1|1,0,1]=4 2121 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,0,0,1|1,0,0]=3 2122 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,1,0,0,0,1|2,0,0]=4 2123 B11R1.779 CC1(CCCCCC1)NCF 34a_100000704638_100015361967 [0,1,0,0,0,1|1,0,1]=4 2124 B11R1.779 CCNC1(CCCCCC1)C 2230a_100000704638_100000210202 [0,1,0,0,0,1|1,0,1]=4 2125 B11R1.779 CCNC1(CCCCCC1)C 34a_100000704638_100000210202 [0,1,0,0,0,1|1,0,1]=4 2126 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,0,0,1|2,0,0]=4 2127 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,1,0,0,0,1|1,0,1]=4 2128 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,1,0,0,0,1|1,0,1]=4 2129 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,1,0,0,0,1|1,0,1]=4 2130 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,1,0,0,0,1|1,0,1]=4 2131 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,1,0,0,0,1|1,0,1]=4 2132 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,1,0,0,0,1|1,0,1]=4 2133 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,1,0,0,0,1|1,0,1]=4 2134 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,1,0,0,0,1|1,0,1]=4 2135 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,1,0,0,0,1|1,0,1]=4 2136 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,1,0,0,0,1|1,0,1]=4 2137 B11R1.852 CN(CF)C1CCCCCC1 269982a_100015185097_100015361967 [0,1,0,0,0,1|1,0,1]=4 2138 B11R1.852 CN(CF)C1CCCCCC1 34a_100015185097_100015361967 [0,1,0,0,0,1|1,0,1]=4 2139 B11R1.1 C#CCNC1CCC(CC1)C 34a_100000212058_200011216234 [0,2,0,0,0,0|1,0,1]=4 2140 B11R1.1 C#CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000038162 [0,2,0,0,0,0|1,0,1]=4 2141 B11R1.1 C#CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000184674 [0,2,0,0,0,0|1,0,1]=4 2142 B11R1.1 C=CCNC1CCC(=C)CC1 270004a_100020586998_100010272673 [0,2,0,0,0,0|1,0,1]=4 2143 B11R1.1 C=CCNC1CCC(CC1)C 270004a_100020586998_100000185489 [0,2,0,0,0,0|1,0,0]=3 2144 B11R1.1 C=CCNC1CCC(CC1)O 270004a_100020586998_100000764474 [0,2,0,0,0,0|1,0,0]=3 2145 B11R1.1 C=CCNC1CCN(CC1)C 270004a_100020586998_100000210137 [0,2,0,0,0,0|2,0,0]=4 2146 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210623 [0,2,0,0,0,0|1,0,0]=3 2147 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100015514636 [0,2,0,0,0,0|1,0,0]=3 2148 B11R1.1 C=CCOC1CCC(CC1)C 34a_100000210714_100015514636 [0,2,0,0,0,0|2,0,0]=4 2149 B11R1.1 C=CCOC1CCC(CC1)C 34a_200000210373_200011216234 [0,2,0,0,0,0|2,0,0]=4 2150 B11R1.1 C=CCOC1CCC(CC1)C 7a_100000210714_100015514636 [0,2,0,0,0,0|2,0,0]=4 2151 B11R1.1 C=CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100015514636 [0,2,0,0,0,0|2,0,0]=4 2152 B11R1.1 C=CCSC1CCC(CC1)C 62a_100000210623_200011216234 [0,2,0,0,0,0|2,0,0]=4 2153 B11R1.1 CC1CCC(CC1)CNCF 34a_103436935547_100015361967 [0,2,0,0,0,0|1,0,1]=4 2154 B11R1.1 CC1CCC(CC1)NCCF 34a_100000724931_200011216234 [0,2,0,0,0,0|1,0,1]=4 2155 B11R1.1 CC1CCC(CC1)NCCO 270004a_100000210304_100000185489 [0,2,0,0,0,0|0,0,2]=4 2156 B11R1.1 CC1CCC(CC1)NCCO 34a_100016990907_200011216234 [0,2,0,0,0,0|0,0,2]=4 2157 B11R1.1 CC1CCC(CC1)OCC=O 34a_100000210714_200009817547 [0,2,0,0,0,0|1,0,0]=3 2158 B11R1.1 CC1CCC(CC1)OCC=O 7a_100000210714_200015260668 [0,2,0,0,0,0|1,0,0]=3 2159 B11R1.1 CC1CCC(CC1)SCC=O 62a_200015260668_200011216234 [0,2,0,0,0,0|1,0,0]=3 2160 B11R1.1 CC=NNC1CCN(CC1)C 4a_100015184029_200000210099 [0,2,0,0,0,0|2,0,0]=4 2161 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [0,2,0,0,0,0|1,0,1]=4 2162 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,2,0,0,0,0|1,0,1]=4 2163 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [0,2,0,0,0,0|1,0,1]=4 2164 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [0,2,0,0,0,0|1,0,1]=4 2165 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,2,0,0,0,0|1,0,1]=4 2166 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,2,0,0,0,0|1,0,1]=4 2167 B11R1.1 CN1CCC(CC1)SCC=O 62a_200015260668_100011215917 [0,2,0,0,0,0|2,0,0]=4 2168 B11R1.1 COCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000766300 [0,2,0,0,0,0|0,0,2]=4 2169 B11R1.1 CSCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011218213 [0,2,0,0,0,0|0,1,1]=4 2170 B11R1.1 CSCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011218213 [0,2,0,0,0,0|0,1,1]=4 2171 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC#N 2230a_100020625639_100011215382 [0,2,0,0,0,0|1,0,1]=4 2172 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 2230a_100020625639_200015260668 [0,2,0,0,0,0|0,0,0]=2 2173 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 34a_100020625639_200009817547 [0,2,0,0,0,0|0,0,0]=2 2174 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCF 2230a_100020625639_100011217306 [0,2,0,0,0,0|1,0,1]=4 2175 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCF 34a_100020625639_100011217306 [0,2,0,0,0,0|1,0,1]=4 2176 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 2230a_100020625639_100000211926 [0,2,0,0,0,0|0,0,2]=4 2177 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 34a_100020625639_100000211926 [0,2,0,0,0,0|0,0,2]=4 2178 B11R1.1 N[C@H]1CC[C@H](CC1)OCC=O 34a_100020628982_200009817547 [0,2,0,0,0,0|1,0,0]=3 2179 B11R1.1 O=CCNC1CCC(=O)NC1 2230a_100000748762_200015260668 [0,2,0,0,0,0|1,0,1]=4 2180 B11R1.1 O=CCNC1CCC(=O)NC1 34a_100000748762_200009817547 [0,2,0,0,0,0|1,0,1]=4 2181 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [0,2,0,0,0,0|1,0,1]=4 2182 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [0,2,0,0,0,0|1,0,1]=4 2183 B11R1.1 OCCNC1CCC(CC1)O 270004a_100000210304_100000764474 [0,2,0,0,0,0|0,0,2]=4 2184 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,2,0,0,0,0|1,0,1]=4 2185 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,2,0,0,0,0|1,0,0]=3 2186 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,2,0,0,0,0|1,0,0]=3 2187 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,2,0,0,0,0|2,0,0]=4 2188 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,2,0,0,0,0|2,0,0]=4 2189 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,2,0,0,0,0|1,0,1]=4 2190 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,2,0,0,0,0|1,0,1]=4 2191 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,2,0,0,0,0|1,0,1]=4 2192 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,2,0,0,0,0|1,0,1]=4 2193 B11R1.20 CC(=O)NC1CCN(CC1)C 11a_100000198570_100015343762 [0,2,0,0,0,0|1,0,0]=3 2194 B11R1.20 CC(=O)NC1CCN(CC1)C 2230a_100000747453_200000210301 [0,2,0,0,0,0|1,0,0]=3 2195 B11R1.20 CC(=O)NC1CCN(CC1)C 240690a_100000198570_100015343762 [0,2,0,0,0,0|1,0,0]=3 2196 B11R1.20 CC(=O)NC1CCN(CC1)C 269982a_100000747453_200000210301 [0,2,0,0,0,0|1,0,0]=3 2197 B11R1.20 CC(=O)NC1CCN(CC1)C 527a_100000198570_100103153847 [0,2,0,0,0,0|1,0,0]=3 2198 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 2230a_100000747453_200025704644 [0,2,0,0,0,0|1,0,0]=3 2199 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 269982a_100000747453_200025704644 [0,2,0,0,0,0|1,0,0]=3 2200 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,2,0,0,0,0|0,0,0]=2 2201 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,2,0,0,0,0|0,0,0]=2 2202 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,2,0,0,0,0|0,0,0]=2 2203 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,2,0,0,0,0|0,0,0]=2 2204 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,2,0,0,0,0|0,0,0]=2 2205 B11R1.20 CC(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210206 [0,2,0,0,0,0|1,0,1]=4 2206 B11R1.20 CC(C)N[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210206 [0,2,0,0,0,0|1,0,1]=4 2207 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,2,0,0,0,0|1,0,1]=4 2208 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,2,0,0,0,0|1,0,0]=3 2209 B11R1.20 CC1CCC(CC1)NC(C)C 34a_100138425928_200011216234 [0,2,0,0,0,0|1,0,1]=4 2210 B11R1.20 CC1CCN(CC1)CC(=O)N 2230a_100000188429_100000747473 [0,2,0,0,0,0|2,0,0]=4 2211 B11R1.20 CC1CCN(CC1)CC(=O)N 269982a_100000188429_100000187820 [0,2,0,0,0,0|2,0,0]=4 2212 B11R1.20 CC1CCN(CC1)CC(=O)N 34a_100000188429_100000187820 [0,2,0,0,0,0|2,0,0]=4 2213 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,2,0,0,0,0|2,0,0]=4 2214 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 269982a_100000188429_100020667443 [0,2,0,0,0,0|2,0,0]=4 2215 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 34a_100000188429_100020667443 [0,2,0,0,0,0|2,0,0]=4 2216 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,2,0,0,0,0|2,0,0]=4 2217 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,2,0,0,0,0|2,0,0]=4 2218 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,2,0,0,0,0|2,0,0]=4 2219 B11R1.20 CN1CCC(CC1)NC(=O)N 2230a_100000751166_200000210301 [0,2,0,0,0,0|1,0,0]=3 2220 B11R1.20 NC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747473 [0,2,0,0,0,0|2,0,0]=4 2221 B11R1.20 NC(=O)CN1CCC(CC1)F 269982a_100015193889_100000187820 [0,2,0,0,0,0|2,0,0]=4 2222 B11R1.20 NC(=O)CN1CCC(CC1)F 34a_100015193889_100000187820 [0,2,0,0,0,0|2,0,0]=4 2223 B11R1.20 NC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747473 [0,2,0,0,0,0|2,0,0]=4 2224 B11R1.20 NC(=O)CN1CCC(CC1)O 269982a_100025773856_100000187820 [0,2,0,0,0,0|2,0,0]=4 2225 B11R1.20 O=C([O-])CN1CCC(CC1)F 269982a_100015193889_100020667443 [0,2,0,0,0,0|2,0,0]=4 2226 B11R1.20 O=C([O-])CN1CCC(CC1)F 34a_100015193889_100020667443 [0,2,0,0,0,0|2,0,0]=4 2227 B11R1.20 O=C([O-])CN1CCC(CC1)O 269982a_100025773856_100020667443 [0,2,0,0,0,0|2,0,0]=4 2228 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,2,0,0,0,0|1,0,0]=3 2229 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,2,0,0,0,0|2,0,0]=4 2230 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,2,0,0,0,0|2,0,0]=4 2231 B11R1.20 [13CH3]N1CCC(CC1)NC(=O)N 2230a_100000751166_200025704644 [0,2,0,0,0,0|1,0,0]=3 2232 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [0,2,0,0,0,0|2,0,0]=4 2233 B11R1.22 CCN(C)C1CCC(CC1)C 269982a_100000225621_200011216234 [0,2,0,0,0,0|1,0,1]=4 2234 B11R1.22 CCN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100000210202 [0,2,0,0,0,0|1,0,1]=4 2235 B11R1.22 CCN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100000204670 [0,2,0,0,0,0|1,0,1]=4 2236 B11R1.22 CN(CF)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100015361967 [0,2,0,0,0,0|1,0,1]=4 2237 B11R1.82 CC1(CCC(CC1)NCF)C 34a_100000757809_100015361967 [0,2,0,0,0,0|1,0,1]=4 2238 B11R1.82 CC1(CCN(CC1)CC=O)C 2230a_100000750138_200015260668 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.82 CC1(CCN(CC1)CC=O)C 269982a_100000750138_200015260668 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.82 CC1(CCN(CC1)CC=O)O 2230a_100000690209_200015260668 [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.82 CC1(CCN(CC1)CC=O)O 269982a_100000690209_200015260668 [0,2,0,0,0,0|2,0,0]=4 2242 B11R1.82 CCNC1CCC(CC1)(C)C 2230a_100000757809_100000210202 [0,2,0,0,0,0|1,0,1]=4 2243 B11R1.82 CCNC1CCC(CC1)(C)C 270004a_100015525214_100000061838 [0,2,0,0,0,0|1,0,1]=4 2244 B11R1.82 CCNC1CCC(CC1)(C)C 34a_100000757809_100000210202 [0,2,0,0,0,0|1,0,1]=4 2245 B11R1.82 CCNC1CCC(CC1)(C)O 270004a_100015525214_100012184276 [0,2,0,0,0,0|1,0,1]=4 2246 B11R1.82 CCNC1CCC(CC1)(F)F 2230a_100000694335_100000210202 [0,2,0,0,0,0|1,0,1]=4 2247 B11R1.82 CCNC1CCC(CC1)(F)F 270004a_100015525214_100000052966 [0,2,0,0,0,0|1,0,1]=4 2248 B11R1.82 CCNC1CCC(CC1)(F)F 34a_100000694335_100000210202 [0,2,0,0,0,0|1,0,1]=4 2249 B11R1.82 CCN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_100000210202 [0,2,0,0,0,0|1,0,1]=4 2250 B11R1.82 CCN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_100000210202 [0,2,0,0,0,0|1,0,1]=4 2251 B11R1.82 C[C@@]1(CC[C@@H](CC1)NCF)O 34a_202125554758_100015361967 [0,2,0,0,0,0|1,0,1]=4 2252 B11R1.82 FCNC1CCC(CC1)(F)F 34a_100000694335_100015361967 [0,2,0,0,0,0|1,0,1]=4 2253 B11R1.82 O=CCN1CCC(CC1)(F)F 2230a_100000724815_200015260668 [0,2,0,0,0,0|2,0,0]=4 2254 B11R1.82 O=CCN1CCC(CC1)(F)F 269982a_100000724815_200015260668 [0,2,0,0,0,0|2,0,0]=4 2255 B11R1.82 O=CCN1CCC(CC1)(F)F 34a_100000724815_200009817547 [0,2,0,0,0,0|2,0,0]=4 2256 B11R1.82 O=CCN1CCC(CC1)(O)O 269982a_100016987284_200015260668 [0,2,0,0,0,0|2,0,0]=4 2257 B11R1.83 C#CC1CCC(CC1)NCC 270004a_100015525214_100000722563 [0,2,0,0,0,0|1,0,1]=4 2258 B11R1.83 C#CC1CCN(CC1)CC=O 2230a_100016991398_200015260668 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.83 C#CC1CCN(CC1)CC=O 269982a_100016991398_200015260668 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.83 C#CC1CCN(CC1)CC=O 34a_100016991398_200009817547 [0,2,0,0,0,0|2,0,0]=4 2261 B11R1.83 CCC1CCC(CC1)NCF 34a_100011194317_100015361967 [0,2,0,0,0,0|1,0,1]=4 2262 B11R1.83 CCC1CCN(CC1)CC=O 2230a_100000754474_200015260668 [0,2,0,0,0,0|2,0,0]=4 2263 B11R1.83 CCC1CCN(CC1)CC=O 269982a_100000754474_200015260668 [0,2,0,0,0,0|2,0,0]=4 2264 B11R1.83 CCC1CCN(CC1)CC=O 34a_100000754474_200009817547 [0,2,0,0,0,0|2,0,0]=4 2265 B11R1.83 CCNC1CCC(CC1)C#N 2230a_100102422146_100000210202 [0,2,0,0,0,0|1,0,1]=4 2266 B11R1.83 CCNC1CCC(CC1)C#N 270004a_100015525214_100009880307 [0,2,0,0,0,0|1,0,1]=4 2267 B11R1.83 CCNC1CCC(CC1)C#N 34a_100102422146_100000210202 [0,2,0,0,0,0|1,0,1]=4 2268 B11R1.83 CCNC1CCC(CC1)CC 2230a_100011194317_100000210202 [0,2,0,0,0,0|1,0,1]=4 2269 B11R1.83 CCNC1CCC(CC1)CC 270004a_100015525214_100000210631 [0,2,0,0,0,0|1,0,1]=4 2270 B11R1.83 CCNC1CCC(CC1)CC 34a_100011194317_100000210202 [0,2,0,0,0,0|1,0,1]=4 2271 B11R1.83 CCNC1CCC(CC1)CO 270004a_100015525214_100000062911 [0,2,0,0,0,0|1,0,1]=4 2272 B11R1.83 CCNC1CCC(CC1)NC 270004a_100015525214_200016988011 [0,2,0,0,0,0|1,0,1]=4 2273 B11R1.83 CCNC1CCC(CC1)OC 270004a_100015525214_100000747084 [0,2,0,0,0,0|1,0,1]=4 2274 B11R1.83 CCNC1CCC(CC1)OC 34a_100015205214_100000210202 [0,2,0,0,0,0|1,0,1]=4 2275 B11R1.83 CCN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100000210202 [0,2,0,0,0,0|1,0,1]=4 2276 B11R1.83 COC1CCC(CC1)NCF 34a_100015205214_100015361967 [0,2,0,0,0,0|1,0,1]=4 2277 B11R1.83 COC1CCN(CC1)CC=O 2230a_100000234800_200015260668 [0,2,0,0,0,0|2,0,0]=4 2278 B11R1.83 COC1CCN(CC1)CC=O 269982a_100000234800_200015260668 [0,2,0,0,0,0|2,0,0]=4 2279 B11R1.83 COC1CCN(CC1)CC=O 34a_100000234800_200009817547 [0,2,0,0,0,0|2,0,0]=4 2280 B11R1.83 CSC1CCN(CC1)CC=O 2230a_100015202541_200015260668 [0,2,0,0,0,0|2,0,0]=4 2281 B11R1.83 CSC1CCN(CC1)CC=O 269982a_100015202541_200015260668 [0,2,0,0,0,0|2,0,0]=4 2282 B11R1.83 CSC1CCN(CC1)CC=O 34a_100015202541_200009817547 [0,2,0,0,0,0|2,0,0]=4 2283 B11R1.83 N#CC1CCC(CC1)NCF 34a_100102422146_100015361967 [0,2,0,0,0,0|1,0,1]=4 2284 B11R1.83 N#CC1CCN(CC1)CC=O 2230a_100000747632_200015260668 [0,2,0,0,0,0|2,0,0]=4 2285 B11R1.83 O=CCN1CCC(CC1)CF 2230a_100015203933_200015260668 [0,2,0,0,0,0|2,0,0]=4 2286 B11R1.83 O=CCN1CCC(CC1)CF 269982a_100015203933_200015260668 [0,2,0,0,0,0|2,0,0]=4 2287 B11R1.83 O=CCN1CCC(CC1)CF 34a_100015203933_200009817547 [0,2,0,0,0,0|2,0,0]=4 2288 B11R1.83 O=CCN1CCC(CC1)CO 2230a_100000738675_200015260668 [0,2,0,0,0,0|2,0,0]=4 2289 B11R1.83 O=CCN1CCC(CC1)CO 269982a_100000738675_200015260668 [0,2,0,0,0,0|2,0,0]=4 2290 B11R1.83 O=CCN1CCC(CC1)CO 34a_100000738675_200009817547 [0,2,0,0,0,0|2,0,0]=4 2291 B11R1.83 OC[C@H]1CC[C@@H](CC1)NCF 34a_100009821084_100015361967 [0,2,0,0,0,0|1,0,1]=4 2292 B11R1.192 CC1CCN(CC1O)CC=O 2230a_100000696640_200015260668 [0,2,0,0,0,0|2,0,0]=4 2293 B11R1.192 CC1CCN(CC1O)CC=O 269982a_100000696640_200015260668 [0,2,0,0,0,0|2,0,0]=4 2294 B11R1.192 CC1CN(CCC1O)CC=O 2230a_100011998114_200015260668 [0,2,0,0,0,0|2,0,0]=4 2295 B11R1.192 CC1CN(CCC1O)CC=O 269982a_100011998114_200015260668 [0,2,0,0,0,0|2,0,0]=4 2296 B11R1.192 CCNC1CCC(C(C1)C)C 270004a_100015525214_100000759390 [0,2,0,0,0,0|1,0,1]=4 2297 B11R1.192 O=CCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200015260668 [0,2,0,0,0,0|2,0,0]=4 2298 B11R1.192 O=CCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200015260668 [0,2,0,0,0,0|2,0,0]=4 2299 B11R1.192 O=CCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200015260668 [0,2,0,0,0,0|2,0,0]=4 2300 B11R1.192 O=CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200015260668 [0,2,0,0,0,0|2,0,0]=4 2301 B11R1.13 CC1CCCC(C1C)NCF 34a_100000211273_100015361967 [0,2,0,0,0,0|1,0,1]=4 2302 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,2,0,0,0,0|1,0,1]=4 2303 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,2,0,0,0,0|1,0,1]=4 2304 B11R1.17 C#CCNC1CCCCC1C 2230a_100000211402_100000038162 [0,2,0,0,0,0|1,0,1]=4 2305 B11R1.17 C#CCNC1CCCCC1C 34a_100000211402_100000184674 [0,2,0,0,0,0|1,0,1]=4 2306 B11R1.17 C#CCNC1CCCCC1F 34a_100000212058_100015423560 [0,2,0,0,0,0|1,0,1]=4 2307 B11R1.17 C#CCNC1CCCCC1O 34a_100000212058_100000038908 [0,2,0,0,0,0|1,0,1]=4 2308 B11R1.17 C#CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000038162 [0,2,0,0,0,0|1,0,1]=4 2309 B11R1.17 C#CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000184674 [0,2,0,0,0,0|1,0,1]=4 2310 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [0,2,0,0,0,0|1,0,0]=3 2311 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [0,2,0,0,0,0|1,0,0]=3 2312 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [0,2,0,0,0,0|1,0,0]=3 2313 B11R1.17 C=CCNC1CCNCC1C 270004a_100020586998_100000703950 [0,2,0,0,0,0|2,0,0]=4 2314 B11R1.17 C=CCNC1CCOCC1C 270004a_100020586998_100000755695 [0,2,0,0,0,0|2,0,0]=4 2315 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [0,2,0,0,0,0|1,0,0]=3 2316 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [0,2,0,0,0,0|1,0,0]=3 2317 B11R1.17 C=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210623 [0,2,0,0,0,0|2,0,0]=4 2318 B11R1.17 C=CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210623 [0,2,0,0,0,0|2,0,0]=4 2319 B11R1.17 C=CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100015514636 [0,2,0,0,0,0|2,0,0]=4 2320 B11R1.17 C=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210623 [0,2,0,0,0,0|2,0,0]=4 2321 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [0,2,0,0,0,0|2,0,0]=4 2322 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [0,2,0,0,0,0|2,0,0]=4 2323 B11R1.17 C=CCOC1CCCCC1Cl 34a_100000038908_100015514636 [0,2,0,0,0,0|2,0,0]=4 2324 B11R1.17 C=CCOC1CCCCC1Cl 7a_100000038908_100015514636 [0,2,0,0,0,0|2,0,0]=4 2325 B11R1.17 C=CCOC1CCCCC1F 34a_200000210373_100015423560 [0,2,0,0,0,0|2,0,0]=4 2326 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [0,2,0,0,0,0|2,0,0]=4 2327 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015514636 [0,2,0,0,0,0|2,0,0]=4 2328 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015514636 [0,2,0,0,0,0|2,0,0]=4 2329 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [0,2,0,0,0,0|2,0,0]=4 2330 B11R1.17 C=CCSC1CCCCC1F 62a_100000210623_100015423560 [0,2,0,0,0,0|2,0,0]=4 2331 B11R1.17 C=CCSC1CCCCC1F 62a_100015423560_100000210623 [0,2,0,0,0,0|2,0,0]=4 2332 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [0,2,0,0,0,0|2,0,0]=4 2333 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [0,2,0,0,0,0|2,0,0]=4 2334 B11R1.17 CC1CCCCC1NCC#N 2230a_100000211402_100011215382 [0,2,0,0,0,0|1,0,1]=4 2335 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [0,2,0,0,0,0|0,0,0]=2 2336 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [0,2,0,0,0,0|0,0,0]=2 2337 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [0,2,0,0,0,0|1,0,1]=4 2338 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [0,2,0,0,0,0|1,0,1]=4 2339 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [0,2,0,0,0,0|1,0,1]=4 2340 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,2,0,0,0,0|0,0,2]=4 2341 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,2,0,0,0,0|0,0,2]=4 2342 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,2,0,0,0,0|0,0,2]=4 2343 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,2,0,0,0,0|0,0,2]=4 2344 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [0,2,0,0,0,0|1,0,0]=3 2345 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [0,2,0,0,0,0|1,0,0]=3 2346 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [0,2,0,0,0,0|2,0,0]=4 2347 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [0,2,0,0,0,0|2,0,0]=4 2348 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [0,2,0,0,0,0|1,0,1]=4 2349 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [0,2,0,0,0,0|1,0,1]=4 2350 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [0,2,0,0,0,0|1,0,1]=4 2351 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [0,2,0,0,0,0|1,0,1]=4 2352 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210303 [0,2,0,0,0,0|1,0,1]=4 2353 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210303 [0,2,0,0,0,0|1,0,1]=4 2354 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,2,0,0,0,0|1,0,1]=4 2355 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [0,2,0,0,0,0|0,0,2]=4 2356 B11R1.17 COCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000766300 [0,2,0,0,0,0|0,0,2]=4 2357 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [0,2,0,0,0,0|0,1,1]=4 2358 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [0,2,0,0,0,0|0,1,1]=4 2359 B11R1.17 CSCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218213 [0,2,0,0,0,0|0,1,1]=4 2360 B11R1.17 CSCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011218213 [0,2,0,0,0,0|0,1,1]=4 2361 B11R1.17 FCCNC1CCCCC1F 34a_100000724931_100015423560 [0,2,0,0,0,0|1,0,1]=4 2362 B11R1.17 FCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011217306 [0,2,0,0,0,0|1,0,1]=4 2363 B11R1.17 FCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011217306 [0,2,0,0,0,0|1,0,1]=4 2364 B11R1.17 N#CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011215382 [0,2,0,0,0,0|1,0,1]=4 2365 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [0,2,0,0,0,0|1,0,0]=3 2366 B11R1.17 N[C@@H]1CCOC[C@@H]1OCC=O 34a_100016994285_200009817547 [0,2,0,0,0,0|2,0,0]=4 2367 B11R1.17 N[C@H]1COCC[C@@H]1OCC=O 34a_100015739063_200009817547 [0,2,0,0,0,0|2,0,0]=4 2368 B11R1.17 O=CCNC1CCCNC1=O 2230a_100000747585_200015260668 [0,2,0,0,0,0|1,0,1]=4 2369 B11R1.17 O=CCNC1CCCNC1=O 34a_100000747585_200009817547 [0,2,0,0,0,0|1,0,1]=4 2370 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [0,2,0,0,0,0|0,0,0]=2 2371 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [0,2,0,0,0,0|0,0,0]=2 2372 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200015260668 [0,2,0,0,0,0|1,0,0]=3 2373 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200015260668 [0,2,0,0,0,0|1,0,0]=3 2374 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_200009817547 [0,2,0,0,0,0|1,0,0]=3 2375 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200015260668 [0,2,0,0,0,0|1,0,0]=3 2376 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [0,2,0,0,0,0|1,0,1]=4 2377 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [0,2,0,0,0,0|1,0,0]=3 2378 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [0,2,0,0,0,0|1,0,0]=3 2379 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [0,2,0,0,0,0|1,0,0]=3 2380 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [0,2,0,0,0,0|1,0,0]=3 2381 B11R1.17 O=CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200009817547 [0,2,0,0,0,0|2,0,0]=4 2382 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [0,2,0,0,0,0|1,0,1]=4 2383 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [0,2,0,0,0,0|1,0,1]=4 2384 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [0,2,0,0,0,0|1,0,0]=3 2385 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [0,2,0,0,0,0|1,0,0]=3 2386 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [0,2,0,0,0,0|1,0,0]=3 2387 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [0,2,0,0,0,0|1,0,0]=3 2388 B11R1.17 OC1CCCCC1CNCF 34a_100011216029_100015361967 [0,2,0,0,0,0|1,0,1]=4 2389 B11R1.17 OC1CCCCC1NCCF 34a_100000724931_100000038908 [0,2,0,0,0,0|1,0,1]=4 2390 B11R1.17 OCCNC1CCCCC1F 34a_100016990907_100015423560 [0,2,0,0,0,0|0,0,2]=4 2391 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [0,2,0,0,0,0|0,0,2]=4 2392 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211926 [0,2,0,0,0,0|0,0,2]=4 2393 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211926 [0,2,0,0,0,0|0,0,2]=4 2394 B11R1.41 C#CC1CCCCN1CC=O 2230a_200020621307_200015260668 [0,2,0,0,0,0|2,0,0]=4 2395 B11R1.41 C#CC1CCCCN1CC=O 269982a_200020621307_200015260668 [0,2,0,0,0,0|2,0,0]=4 2396 B11R1.41 C#CC1CCCCN1CC=O 34a_200020621307_200009817547 [0,2,0,0,0,0|2,0,0]=4 2397 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [0,2,0,0,0,0|2,0,0]=4 2398 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [0,2,0,0,0,0|2,0,0]=4 2399 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [0,2,0,0,0,0|2,0,0]=4 2400 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [0,2,0,0,0,0|2,0,0]=4 2401 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [0,2,0,0,0,0|2,0,0]=4 2402 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [0,2,0,0,0,0|1,0,1]=4 2403 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [0,2,0,0,0,0|1,0,1]=4 2404 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,2,0,0,0,0|1,0,1]=4 2405 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [0,2,0,0,0,0|1,0,1]=4 2406 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [0,2,0,0,0,0|1,0,1]=4 2407 B11R1.41 COC1CCCCC1NCF 34a_100011208099_100015361967 [0,2,0,0,0,0|1,0,1]=4 2408 B11R1.41 N#CC1CCCCN1CC=O 34a_100016989756_200009817547 [0,2,0,0,0,0|2,0,0]=4 2409 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [0,2,0,0,0,0|2,0,0]=4 2410 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [0,2,0,0,0,0|2,0,0]=4 2411 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [0,2,0,0,0,0|2,0,0]=4 2412 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,2,0,0,0,0|2,0,0]=4 2413 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,2,0,0,0,0|0,0,0]=2 2414 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,2,0,0,0,0|0,0,0]=2 2415 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,2,0,0,0,0|0,0,0]=2 2416 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,2,0,0,0,0|0,0,0]=2 2417 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,2,0,0,0,0|1,0,1]=4 2418 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,2,0,0,0,0|1,0,1]=4 2419 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,2,0,0,0,0|1,0,1]=4 2420 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,2,0,0,0,0|1,0,1]=4 2421 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,2,0,0,0,0|0,0,0]=2 2422 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,2,0,0,0,0|0,0,0]=2 2423 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,2,0,0,0,0|0,0,0]=2 2424 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,2,0,0,0,0|0,0,0]=2 2425 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,2,0,0,0,0|0,0,0]=2 2426 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,2,0,0,0,0|0,0,0]=2 2427 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100015343762 [0,2,0,0,0,0|1,0,0]=3 2428 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100015343762 [0,2,0,0,0,0|1,0,0]=3 2429 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100103153847 [0,2,0,0,0,0|1,0,0]=3 2430 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100015343762 [0,2,0,0,0,0|1,0,0]=3 2431 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100015343762 [0,2,0,0,0,0|1,0,0]=3 2432 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100015343762 [0,2,0,0,0,0|1,0,0]=3 2433 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100103153847 [0,2,0,0,0,0|1,0,0]=3 2434 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [0,2,0,0,0,0|1,0,0]=3 2435 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [0,2,0,0,0,0|1,0,0]=3 2436 B11R1.86 CC(C)NC1CCCCC1C 2230a_100000211402_100000210206 [0,2,0,0,0,0|1,0,1]=4 2437 B11R1.86 CC(C)NC1CCCCC1C 34a_100000211402_100000210206 [0,2,0,0,0,0|1,0,1]=4 2438 B11R1.86 CC(C)NC1CCCCC1F 34a_100138425928_100015423560 [0,2,0,0,0,0|1,0,1]=4 2439 B11R1.86 CC(C)NC1CCCCC1O 34a_100138425928_100000038908 [0,2,0,0,0,0|1,0,1]=4 2440 B11R1.86 CC(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210206 [0,2,0,0,0,0|1,0,1]=4 2441 B11R1.86 CC(C)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210206 [0,2,0,0,0,0|1,0,1]=4 2442 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,2,0,0,0,0|2,0,0]=4 2443 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,2,0,0,0,0|2,0,0]=4 2444 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,2,0,0,0,0|2,0,0]=4 2445 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,2,0,0,0,0|2,0,0]=4 2446 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,2,0,0,0,0|2,0,0]=4 2447 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,2,0,0,0,0|2,0,0]=4 2448 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,2,0,0,0,0|2,0,0]=4 2449 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,2,0,0,0,0|2,0,0]=4 2450 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,2,0,0,0,0|2,0,0]=4 2451 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.182 CCNC1CC(CCC1C)C 269862a_100015525214_100000034887 [0,2,0,0,0,0|1,0,1]=4 2454 B11R1.182 CCNC1CC(CCC1C)C 270004a_100015525214_100000034887 [0,2,0,0,0,0|1,0,1]=4 2455 B11R1.191 CCNC1CCCCC1(C)C 269862a_100015525214_100000031690 [0,2,0,0,0,0|1,0,1]=4 2456 B11R1.191 CCNC1CCCCC1(F)F 2230a_100000686509_100000210202 [0,2,0,0,0,0|1,0,1]=4 2457 B11R1.191 CCNC1CCCCC1(F)F 34a_100000686509_100000210202 [0,2,0,0,0,0|1,0,1]=4 2458 B11R1.191 FCNC1CCCCC1(F)F 34a_100000686509_100015361967 [0,2,0,0,0,0|1,0,1]=4 2459 B11R1.222 CCN(C)C1CCCCC1F 269982a_100000225621_100015423560 [0,2,0,0,0,0|1,0,1]=4 2460 B11R1.222 CCN(C)C1CCCCC1O 269982a_100000225621_100000038908 [0,2,0,0,0,0|1,0,1]=4 2461 B11R1.222 CCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000204670 [0,2,0,0,0,0|1,0,1]=4 2462 B11R1.222 CN(CF)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100015361967 [0,2,0,0,0,0|1,0,1]=4 2463 B11R1.605 CC1CCCC(N1CC=O)C 2230a_100000210447_200015260668 [0,2,0,0,0,0|2,0,0]=4 2464 B11R1.605 CC1CCCC(N1CC=O)C 269982a_100000210447_200015260668 [0,2,0,0,0,0|2,0,0]=4 2465 B11R1.605 CC1CCCC(N1CC=O)C 34a_100000210447_200009817547 [0,2,0,0,0,0|2,0,0]=4 2466 B11R1.605 CCNC1C(CCCC1C)C 269862a_100015525214_100000211995 [0,2,0,0,0,0|1,0,1]=4 2467 B11R1.24 C#CCNC1CCCC(C1)C 2230a_100011194320_100000038162 [0,2,0,0,0,0|1,0,1]=4 2468 B11R1.24 C#CCNC1CCCC(C1)C 34a_100011194320_100000184674 [0,2,0,0,0,0|1,0,1]=4 2469 B11R1.24 C#CCNC1CCCC(C1)O 2230a_100015190357_100000038162 [0,2,0,0,0,0|1,0,1]=4 2470 B11R1.24 C=CCNC1CCCC(C1)C 2230a_100011194320_100000210623 [0,2,0,0,0,0|1,0,0]=3 2471 B11R1.24 C=CCNC1CCCC(C1)C 270004a_100020586998_100000183594 [0,2,0,0,0,0|1,0,0]=3 2472 B11R1.24 C=CCNC1CCCC(C1)C 34a_100011194320_100015514636 [0,2,0,0,0,0|1,0,0]=3 2473 B11R1.24 C=CCNC1CCCC(C1)O 2230a_100015190357_100000210623 [0,2,0,0,0,0|1,0,0]=3 2474 B11R1.24 C=CCNC1CCCC(C1)O 270004a_100020586998_100012613340 [0,2,0,0,0,0|1,0,0]=3 2475 B11R1.24 C=CCNC1CCN[C@@H](C1)C 270004a_100020586998_100016994030 [0,2,0,0,0,0|2,0,0]=4 2476 B11R1.24 C=CCNC1CCOC(C1)C 270004a_100020586998_100000755752 [0,2,0,0,0,0|2,0,0]=4 2477 B11R1.24 C=CCOC1CCCC(C1)C 34a_100000211399_100015514636 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.24 CC1CC(CCO1)OCC=O 34a_100011986385_200009817547 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.24 CC1CC(CCO1)OCC=O 7a_100011986385_200015260668 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.24 CC1CCCC(C1)NCC#N 2230a_100011194320_100011215382 [0,2,0,0,0,0|1,0,1]=4 2481 B11R1.24 CC1CCCC(C1)NCC=O 2230a_100011194320_200015260668 [0,2,0,0,0,0|0,0,0]=2 2482 B11R1.24 CC1CCCC(C1)NCC=O 34a_100011194320_200009817547 [0,2,0,0,0,0|0,0,0]=2 2483 B11R1.24 CC1CCCC(C1)NCCF 2230a_100011194320_100011217306 [0,2,0,0,0,0|1,0,1]=4 2484 B11R1.24 CC1CCCC(C1)NCCF 34a_100011194320_100011217306 [0,2,0,0,0,0|1,0,1]=4 2485 B11R1.24 CC1CCCC(C1)NCCO 2230a_100011194320_100000211926 [0,2,0,0,0,0|0,0,2]=4 2486 B11R1.24 CC1CCCC(C1)NCCO 270004a_100000210304_100000183594 [0,2,0,0,0,0|0,0,2]=4 2487 B11R1.24 CC1CCCC(C1)NCCO 34a_100011194320_100000211926 [0,2,0,0,0,0|0,0,2]=4 2488 B11R1.24 CC1CCCC(C1)OCC=O 34a_100000211399_200009817547 [0,2,0,0,0,0|1,0,0]=3 2489 B11R1.24 CCCNC1CCCC(C1)C 2230a_100011194320_100000210303 [0,2,0,0,0,0|1,0,1]=4 2490 B11R1.24 CCCNC1CCCC(C1)C 270004a_100020643023_100000183594 [0,2,0,0,0,0|1,0,1]=4 2491 B11R1.24 CCCNC1CCCC(C1)C 34a_100011194320_100000210303 [0,2,0,0,0,0|1,0,1]=4 2492 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,2,0,0,0,0|1,0,1]=4 2493 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,2,0,0,0,0|1,0,1]=4 2494 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,2,0,0,0,0|1,0,1]=4 2495 B11R1.24 COCNC1CCCC(C1)C 2230a_100011194320_100000766300 [0,2,0,0,0,0|0,0,2]=4 2496 B11R1.24 COCNC1CCCC(C1)O 2230a_100015190357_100000766300 [0,2,0,0,0,0|0,0,2]=4 2497 B11R1.24 CSCNC1CCCC(C1)C 2230a_100011194320_100011218213 [0,2,0,0,0,0|0,1,1]=4 2498 B11R1.24 CSCNC1CCCC(C1)C 34a_100011194320_100011218213 [0,2,0,0,0,0|0,1,1]=4 2499 B11R1.24 CSCNC1CCCC(C1)O 2230a_100015190357_100011218213 [0,2,0,0,0,0|0,1,1]=4 2500 B11R1.24 N#CCNC1CCCC(C1)O 2230a_100015190357_100011215382 [0,2,0,0,0,0|1,0,1]=4 2501 B11R1.24 O=CCNC1CCCC(C1)O 2230a_100015190357_200015260668 [0,2,0,0,0,0|0,0,0]=2 2502 B11R1.24 O=CCNC1CCNC(=O)C1 2230a_100016994916_200015260668 [0,2,0,0,0,0|1,0,1]=4 2503 B11R1.24 O=CCNC1CCNC(=O)C1 34a_100016994916_200009817547 [0,2,0,0,0,0|1,0,1]=4 2504 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [0,2,0,0,0,0|1,0,1]=4 2505 B11R1.24 OC1CCCC(C1)NCCF 2230a_100015190357_100011217306 [0,2,0,0,0,0|1,0,1]=4 2506 B11R1.24 OCCNC1CCCC(C1)O 2230a_100015190357_100000211926 [0,2,0,0,0,0|0,0,2]=4 2507 B11R1.24 OCCNC1CCCC(C1)O 270004a_100000210304_100012613340 [0,2,0,0,0,0|0,0,2]=4 2508 B11R1.34 CC1CC(CN(C1)CC=O)C 2230a_100000210448_200015260668 [0,2,0,0,0,0|2,0,0]=4 2509 B11R1.34 CC1CC(CN(C1)CC=O)C 269982a_100000210448_200015260668 [0,2,0,0,0,0|2,0,0]=4 2510 B11R1.34 CC1CC(CN(C1)CC=O)C 34a_100000210448_200009817547 [0,2,0,0,0,0|2,0,0]=4 2511 B11R1.34 CCNC1CC(CC(C1)C)C 270004a_100015525214_100000753413 [0,2,0,0,0,0|1,0,1]=4 2512 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,2,0,0,0,0|1,0,0]=3 2513 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,2,0,0,0,0|2,0,0]=4 2514 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,2,0,0,0,0|0,0,0]=2 2515 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,2,0,0,0,0|0,0,0]=2 2516 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,2,0,0,0,0|0,0,0]=2 2517 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,2,0,0,0,0|0,0,0]=2 2518 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,2,0,0,0,0|0,0,0]=2 2519 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,2,0,0,0,0|0,0,0]=2 2520 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,2,0,0,0,0|1,0,0]=3 2521 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,2,0,0,0,0|1,0,0]=3 2522 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,2,0,0,0,0|1,0,0]=3 2523 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,2,0,0,0,0|1,0,0]=3 2524 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [0,2,0,0,0,0|1,0,1]=4 2525 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [0,2,0,0,0,0|1,0,1]=4 2526 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [0,2,0,0,0,0|1,0,1]=4 2527 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [0,2,0,0,0,0|1,0,1]=4 2528 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,2,0,0,0,0|1,0,0]=3 2529 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,2,0,0,0,0|1,0,0]=3 2530 B11R1.157 CC(C)NC1CCCC(C1)O 2230a_100015190357_100000210206 [0,2,0,0,0,0|1,0,1]=4 2531 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,2,0,0,0,0|1,0,0]=3 2532 B11R1.157 CC1CCCC(C1)NC(C)C 2230a_100011194320_100000210206 [0,2,0,0,0,0|1,0,1]=4 2533 B11R1.157 CC1CCCC(C1)NC(C)C 34a_100011194320_100000210206 [0,2,0,0,0,0|1,0,1]=4 2534 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,2,0,0,0,0|2,0,0]=4 2535 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,2,0,0,0,0|2,0,0]=4 2536 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,2,0,0,0,0|2,0,0]=4 2538 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,2,0,0,0,0|2,0,0]=4 2539 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,2,0,0,0,0|2,0,0]=4 2540 B11R1.157 NC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747473 [0,2,0,0,0,0|2,0,0]=4 2541 B11R1.157 NC(=O)CN1CCCC(C1)F 269982a_100000697950_100000187820 [0,2,0,0,0,0|2,0,0]=4 2542 B11R1.157 NC(=O)CN1CCCC(C1)F 34a_100000697950_100000187820 [0,2,0,0,0,0|2,0,0]=4 2543 B11R1.157 NC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747473 [0,2,0,0,0,0|2,0,0]=4 2544 B11R1.157 NC(=O)CN1CCCC(C1)O 269982a_100000211013_100000187820 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.157 O=C([O-])CN1CCCC(C1)F 269982a_100000697950_100020667443 [0,2,0,0,0,0|2,0,0]=4 2546 B11R1.157 O=C([O-])CN1CCCC(C1)F 34a_100000697950_100020667443 [0,2,0,0,0,0|2,0,0]=4 2547 B11R1.157 O=C([O-])CN1CCCC(C1)O 269982a_100000211013_100020667443 [0,2,0,0,0,0|2,0,0]=4 2548 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,2,0,0,0,0|2,0,0]=4 2549 B11R1.189 C#CC1CCCN(C1)CC=O 2230a_100015191679_200015260668 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.189 C#CC1CCCN(C1)CC=O 269982a_100015191679_200015260668 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.189 C#CC1CCCN(C1)CC=O 34a_100015191679_200009817547 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.189 CCNC1CCCC(C1)C#N 270004a_100015525214_100000747296 [0,2,0,0,0,0|1,0,1]=4 2553 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,2,0,0,0,0|1,0,1]=4 2554 B11R1.189 CCNC1CCCC(C1)SC 270004a_100015525214_100012138059 [0,2,0,0,0,0|1,0,1]=4 2555 B11R1.189 COC1CCCN(C1)CC=O 2230a_100000695604_200015260668 [0,2,0,0,0,0|2,0,0]=4 2556 B11R1.189 COC1CCCN(C1)CC=O 269982a_100000695604_200015260668 [0,2,0,0,0,0|2,0,0]=4 2557 B11R1.189 COC1CCCN(C1)CC=O 34a_100000695604_200009817547 [0,2,0,0,0,0|2,0,0]=4 2558 B11R1.189 N#CC1CCCN(C1)CC=O 2230a_100016989302_200015260668 [0,2,0,0,0,0|2,0,0]=4 2559 B11R1.189 N#CC1CCCN(C1)CC=O 269982a_206835378768_200015260668 [0,2,0,0,0,0|2,0,0]=4 2560 B11R1.189 O=CCN1CCCC(C1)CF 2230a_100016992999_200015260668 [0,2,0,0,0,0|2,0,0]=4 2561 B11R1.189 O=CCN1CCCC(C1)CF 269982a_100016992999_200015260668 [0,2,0,0,0,0|2,0,0]=4 2562 B11R1.189 O=CCN1CCCC(C1)CF 34a_100016992999_200009817547 [0,2,0,0,0,0|2,0,0]=4 2563 B11R1.189 O=CCN1CCCC(C1)CO 2230a_100000211344_200015260668 [0,2,0,0,0,0|2,0,0]=4 2564 B11R1.189 O=CCN1CCCC(C1)CO 269982a_100000211344_200015260668 [0,2,0,0,0,0|2,0,0]=4 2565 B11R1.189 O=CCN1CCCC(C1)CO 34a_100000211344_200009817547 [0,2,0,0,0,0|2,0,0]=4 2566 B11R1.342 CC1(CCCN(C1)CC=O)C 2230a_100000716857_200015260668 [0,2,0,0,0,0|2,0,0]=4 2567 B11R1.342 CC1(CCCN(C1)CC=O)C 269982a_100000716857_200015260668 [0,2,0,0,0,0|2,0,0]=4 2568 B11R1.342 CC1(CCCN(C1)CC=O)C 34a_100000716857_200009817547 [0,2,0,0,0,0|2,0,0]=4 2569 B11R1.342 CC1(CCCN(C1)CC=O)O 2230a_100000695535_200015260668 [0,2,0,0,0,0|2,0,0]=4 2570 B11R1.342 CC1(CCCN(C1)CC=O)O 269982a_100000695535_200015260668 [0,2,0,0,0,0|2,0,0]=4 2571 B11R1.342 CCNC1CCCC(C1)(C)C 270004a_100015525214_100000031663 [0,2,0,0,0,0|1,0,1]=4 2572 B11R1.342 O=CCN1CCCC(C1)(F)F 2230a_100000732682_200015260668 [0,2,0,0,0,0|2,0,0]=4 2573 B11R1.342 O=CCN1CCCC(C1)(F)F 269982a_100000732682_200015260668 [0,2,0,0,0,0|2,0,0]=4 2574 B11R1.342 O=CCN1CCCC(C1)(F)F 34a_100000732682_200009817547 [0,2,0,0,0,0|2,0,0]=4 2575 B11R1.12 CCN(CC)C1CCCCC1 2230a_100000201195_100000210202 [0,2,0,0,0,0|1,0,1]=4 2576 B11R1.12 CCN(CC)C1CCCCC1 269956a_100000042499_100000210327 [0,2,0,0,0,0|1,0,1]=4 2577 B11R1.12 CCN(CC)C1CCCCC1 269982a_100000201195_100000204670 [0,2,0,0,0,0|1,0,1]=4 2578 B11R1.12 CCN(CC)C1CCCCC1 269982a_100000724800_100000210327 [0,2,0,0,0,0|1,0,1]=4 2579 B11R1.12 CCN(CC)C1CCCCC1 270004a_100000724800_100000210434 [0,2,0,0,0,0|1,0,1]=4 2580 B11R1.12 CCN(CC)C1CCCCC1 34a_100000201195_100000210202 [0,2,0,0,0,0|1,0,1]=4 2581 B11R1.12 CCN(CF)C1CCCCC1 269982a_100000201195_100015361967 [0,2,0,0,0,0|1,0,1]=4 2582 B11R1.12 CCN(CF)C1CCCCC1 34a_100000201195_100015361967 [0,2,0,0,0,0|1,0,1]=4 2583 B11R1.16 C#CCN(C)C1CCCCC1 2230a_100000207522_100000038162 [0,2,0,0,0,0|1,0,1]=4 2584 B11R1.16 C#CCN(C)C1CCCCC1 2230a_100000746300_200000210301 [0,2,0,0,0,0|1,0,1]=4 2585 B11R1.16 C#CCN(C)C1CCCCC1 269982a_100000746300_200000210301 [0,2,0,0,0,0|1,0,1]=4 2586 B11R1.16 C#CCN(C)C1CCCCC1 270004a_100000225692_100000210434 [0,2,0,0,0,0|1,0,1]=4 2587 B11R1.16 C#CCN(C)C1CCCCC1 34a_100000207522_100000184674 [0,2,0,0,0,0|1,0,1]=4 2588 B11R1.16 C#CCN(C)C1CCCCC1 34a_100000225692_100000210327 [0,2,0,0,0,0|1,0,1]=4 2589 B11R1.16 C#CCN(C)C1CCCCC1 34a_100000746300_200000210301 [0,2,0,0,0,0|1,0,1]=4 2590 B11R1.16 C#CCN([13CH3])C1CCCCC1 2230a_100000746300_200025704644 [0,2,0,0,0,0|1,0,1]=4 2591 B11R1.16 C#CCN([13CH3])C1CCCCC1 269982a_100000746300_200025704644 [0,2,0,0,0,0|1,0,1]=4 2592 B11R1.16 C#CCN([13CH3])C1CCCCC1 34a_100000746300_200025704644 [0,2,0,0,0,0|1,0,1]=4 2593 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [0,2,0,0,0,0|2,0,0]=4 2594 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [0,2,0,0,0,0|2,0,0]=4 2595 B11R1.16 C=CCN(C)C1CCCCC1 2230a_100000207522_100000210623 [0,2,0,0,0,0|1,0,0]=3 2596 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000207522_100000210623 [0,2,0,0,0,0|1,0,0]=3 2597 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000225617_100000210327 [0,2,0,0,0,0|1,0,0]=3 2598 B11R1.16 C=CCN(C)C1CCCCC1 270004a_100000225617_100000210434 [0,2,0,0,0,0|1,0,0]=3 2599 B11R1.16 C=CCN(C)C1CCCCC1 34a_100000207522_100015514636 [0,2,0,0,0,0|1,0,0]=3 2600 B11R1.16 C=CCN(C)C1CCCOC1 269982a_100000225617_100000693364 [0,2,0,0,0,0|2,0,0]=4 2601 B11R1.16 C=CCN(C)C1CCCOC1 270004a_100000225617_100000753404 [0,2,0,0,0,0|2,0,0]=4 2602 B11R1.16 C=CCN(C)C1CCCSC1 270004a_100000225617_100000057913 [0,2,0,0,0,0|2,0,0]=4 2603 B11R1.16 C=CCN(C)C1CCNCC1 270004a_100000225617_100015192401 [0,2,0,0,0,0|2,0,0]=4 2604 B11R1.16 C=CCN(C)C1CCOCC1 2230a_100020587155_100000210623 [0,2,0,0,0,0|2,0,0]=4 2605 B11R1.16 C=CCN(C)C1CCOCC1 269982a_100000225617_100011324220 [0,2,0,0,0,0|2,0,0]=4 2606 B11R1.16 C=CCN(C)C1CCOCC1 269982a_100020587155_100000210623 [0,2,0,0,0,0|2,0,0]=4 2607 B11R1.16 C=CCN(C)C1CCOCC1 270004a_100000225617_100011217826 [0,2,0,0,0,0|2,0,0]=4 2608 B11R1.16 C=CCN(C)C1CCOCC1 34a_100020587155_100015514636 [0,2,0,0,0,0|2,0,0]=4 2609 B11R1.16 C=CCN(C)C1CCSCC1 2230a_100015184757_100000210623 [0,2,0,0,0,0|2,0,0]=4 2610 B11R1.16 C=CCN(C)C1CCSCC1 269982a_100000225617_100000069128 [0,2,0,0,0,0|2,0,0]=4 2611 B11R1.16 C=CCN(C)C1CCSCC1 269982a_100015184757_100000210623 [0,2,0,0,0,0|2,0,0]=4 2612 B11R1.16 C=CCN(C)C1CCSCC1 270004a_100000225617_100000203788 [0,2,0,0,0,0|2,0,0]=4 2613 B11R1.16 C=CCN(C)C1CCSCC1 34a_100015184757_100015514636 [0,2,0,0,0,0|2,0,0]=4 2614 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,2,0,0,0,0|2,0,0]=4 2615 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000207522_100000210303 [0,2,0,0,0,0|1,0,1]=4 2616 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000750343_200000210301 [0,2,0,0,0,0|1,0,1]=4 2617 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000207522_100000210303 [0,2,0,0,0,0|1,0,1]=4 2618 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000747261_100000210327 [0,2,0,0,0,0|1,0,1]=4 2619 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000750343_200000210301 [0,2,0,0,0,0|1,0,1]=4 2620 B11R1.16 CCCN(C)C1CCCCC1 270004a_100000747261_100000210434 [0,2,0,0,0,0|1,0,1]=4 2621 B11R1.16 CCCN(C)C1CCCCC1 34a_100000207522_100000210303 [0,2,0,0,0,0|1,0,1]=4 2622 B11R1.16 CCCN(C)C1CCCCC1 34a_100000750343_200000210301 [0,2,0,0,0,0|1,0,1]=4 2623 B11R1.16 CCCN([13CH3])C1CCCCC1 2230a_100000750343_200025704644 [0,2,0,0,0,0|1,0,1]=4 2624 B11R1.16 CCCN([13CH3])C1CCCCC1 269982a_100000750343_200025704644 [0,2,0,0,0,0|1,0,1]=4 2625 B11R1.16 CCCN([13CH3])C1CCCCC1 34a_100000750343_200025704644 [0,2,0,0,0,0|1,0,1]=4 2626 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,2,0,0,0,0|1,0,1]=4 2627 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,2,0,0,0,0|1,0,1]=4 2628 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,2,0,0,0,0|1,0,1]=4 2629 B11R1.16 CCNC(C)C1CCCCC1 269862a_100015525214_100000210989 [0,2,0,0,0,0|1,0,1]=4 2630 B11R1.16 CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210202 [0,2,0,0,0,0|1,0,1]=4 2631 B11R1.16 CCN[C@H](C)C1CCCCC1 34a_100025707633_100000210202 [0,2,0,0,0,0|1,0,1]=4 2632 B11R1.16 CN(CC#N)C1CCCCC1 2230a_100000207522_100011215382 [0,2,0,0,0,0|1,0,1]=4 2633 B11R1.16 CN(CC#N)C1CCCCC1 269982a_100000207522_100011214920 [0,2,0,0,0,0|1,0,1]=4 2634 B11R1.16 CN(CC=O)C1CCCCC1 2230a_100000207522_200015260668 [0,2,0,0,0,0|0,0,0]=2 2635 B11R1.16 CN(CC=O)C1CCCCC1 269982a_100000207522_200015260668 [0,2,0,0,0,0|0,0,0]=2 2636 B11R1.16 CN(CC=O)C1CCCCC1 34a_100000207522_200009817547 [0,2,0,0,0,0|0,0,0]=2 2637 B11R1.16 CN(CC=O)C1CCOCC1 2230a_100020587155_200015260668 [0,2,0,0,0,0|1,0,0]=3 2638 B11R1.16 CN(CC=O)C1CCOCC1 269982a_100020587155_200015260668 [0,2,0,0,0,0|1,0,0]=3 2639 B11R1.16 CN(CC=O)C1CCOCC1 34a_100020587155_200009817547 [0,2,0,0,0,0|1,0,0]=3 2640 B11R1.16 CN(CC=O)C1CCSCC1 2230a_100015184757_200015260668 [0,2,0,0,0,0|1,0,0]=3 2641 B11R1.16 CN(CC=O)C1CCSCC1 269982a_100015184757_200015260668 [0,2,0,0,0,0|1,0,0]=3 2642 B11R1.16 CN(CC=O)C1CCSCC1 34a_100015184757_200009817547 [0,2,0,0,0,0|1,0,0]=3 2643 B11R1.16 CN(CCF)C1CCCCC1 2230a_100000207522_100011217306 [0,2,0,0,0,0|1,0,1]=4 2644 B11R1.16 CN(CCF)C1CCCCC1 269982a_100000207522_100011217306 [0,2,0,0,0,0|1,0,1]=4 2645 B11R1.16 CN(CCF)C1CCCCC1 34a_100000207522_100011217306 [0,2,0,0,0,0|1,0,1]=4 2646 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000200466_200000210301 [0,2,0,0,0,0|0,0,2]=4 2647 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000207522_100000211926 [0,2,0,0,0,0|0,0,2]=4 2648 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000200466_200000210301 [0,2,0,0,0,0|0,0,2]=4 2649 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000207522_100000211926 [0,2,0,0,0,0|0,0,2]=4 2650 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000210263_100000210327 [0,2,0,0,0,0|0,0,2]=4 2651 B11R1.16 CN(CCO)C1CCCCC1 270004a_100000210263_100000210434 [0,2,0,0,0,0|0,0,2]=4 2652 B11R1.16 CN(CCO)C1CCCCC1 34a_100000200466_200000210301 [0,2,0,0,0,0|0,0,2]=4 2653 B11R1.16 CN(CCO)C1CCCCC1 34a_100000207522_100000211926 [0,2,0,0,0,0|0,0,2]=4 2654 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [0,2,0,0,0,0|2,0,0]=4 2655 B11R1.16 COCN(C)C1CCCCC1 2230a_100000207522_100000766300 [0,2,0,0,0,0|0,0,2]=4 2656 B11R1.16 COCN(C)C1CCCCC1 269982a_100000207522_100000766300 [0,2,0,0,0,0|0,0,2]=4 2657 B11R1.16 CSCN(C)C1CCCCC1 2230a_100000207522_100011218213 [0,2,0,0,0,0|0,1,1]=4 2658 B11R1.16 CSCN(C)C1CCCCC1 269982a_100000207522_100011218213 [0,2,0,0,0,0|0,1,1]=4 2659 B11R1.16 CSCN(C)C1CCCCC1 34a_100000207522_100011218213 [0,2,0,0,0,0|0,1,1]=4 2660 B11R1.16 C[C@@H](NCF)C1CCCCC1 34a_100025707633_100015361967 [0,2,0,0,0,0|1,0,1]=4 2661 B11R1.16 O=C(C=CBr)C1CCCCC1 1458a_100016273825_100000210327 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.16 O=C(C=CCl)C1CCCCC1 1458a_200016279998_100000210327 [0,2,0,0,0,0|2,0,0]=4 2663 B11R1.16 O=C(C=CI)C1CCCCC1 1458a_100016256311_100000210327 [0,2,0,0,0,0|2,0,0]=4 2664 B11R1.16 [13CH3]N(CCO)C1CCCCC1 2230a_100000200466_200025704644 [0,2,0,0,0,0|0,0,2]=4 2665 B11R1.16 [13CH3]N(CCO)C1CCCCC1 269982a_100000200466_200025704644 [0,2,0,0,0,0|0,0,2]=4 2666 B11R1.16 [13CH3]N(CCO)C1CCCCC1 34a_100000200466_200025704644 [0,2,0,0,0,0|0,0,2]=4 2667 B11R1.36 C=C(C)C(=O)C1CCCCC1 1458a_100000185857_100000210327 [0,2,0,0,0,0|2,0,0]=4 2668 B11R1.36 CC(=O)C(=O)N1CCCCC1 1458a_200011297168_200000210301 [0,2,0,0,0,0|2,0,0]=4 2669 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,2,0,0,0,0|1,0,0]=3 2670 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,2,0,0,0,0|1,0,0]=3 2671 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,2,0,0,0,0|0,0,0]=2 2672 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,2,0,0,0,0|0,0,0]=2 2673 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,2,0,0,0,0|0,0,0]=2 2674 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,2,0,0,0,0|0,0,0]=2 2675 B11R1.36 CC(=O)N(C)C1CCOCC1 11a_100020587155_100015343762 [0,2,0,0,0,0|1,0,0]=3 2676 B11R1.36 CC(=O)N(C)C1CCOCC1 1626a_100020587155_100015343762 [0,2,0,0,0,0|1,0,0]=3 2677 B11R1.36 CC(=O)N(C)C1CCOCC1 240690a_100020587155_100015343762 [0,2,0,0,0,0|1,0,0]=3 2678 B11R1.36 CC(=O)N(C)C1CCOCC1 527a_100020587155_100103153847 [0,2,0,0,0,0|1,0,0]=3 2679 B11R1.36 CC(=O)N(C)C1CCSCC1 11a_100015184757_100015343762 [0,2,0,0,0,0|1,0,0]=3 2680 B11R1.36 CC(=O)N(C)C1CCSCC1 240690a_100015184757_100015343762 [0,2,0,0,0,0|1,0,0]=3 2681 B11R1.36 CC(=O)N(C)C1CCSCC1 527a_100015184757_100103153847 [0,2,0,0,0,0|1,0,0]=3 2682 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,2,0,0,0,0|1,0,0]=3 2683 B11R1.36 CC(C)N(C)C1CCCCC1 2230a_100000207522_100000210206 [0,2,0,0,0,0|1,0,1]=4 2684 B11R1.36 CC(C)N(C)C1CCCCC1 2230a_100025770988_200000210301 [0,2,0,0,0,0|1,0,1]=4 2685 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_100000207522_100000210206 [0,2,0,0,0,0|1,0,1]=4 2686 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_100025770988_200000210301 [0,2,0,0,0,0|1,0,1]=4 2687 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_200000211004_100000210327 [0,2,0,0,0,0|1,0,1]=4 2688 B11R1.36 CC(C)N(C)C1CCCCC1 270004a_200000211004_100000210434 [0,2,0,0,0,0|1,0,1]=4 2689 B11R1.36 CC(C)N(C)C1CCCCC1 34a_100000207522_100000210206 [0,2,0,0,0,0|1,0,1]=4 2690 B11R1.36 CC(C)N(C)C1CCCCC1 34a_100025770988_200000210301 [0,2,0,0,0,0|1,0,1]=4 2691 B11R1.36 CC(C)N([13CH3])C1CCCCC1 2230a_100025770988_200025704644 [0,2,0,0,0,0|1,0,1]=4 2692 B11R1.36 CC(C)N([13CH3])C1CCCCC1 269982a_100025770988_200025704644 [0,2,0,0,0,0|1,0,1]=4 2693 B11R1.36 CC(C)N([13CH3])C1CCCCC1 34a_100025770988_200025704644 [0,2,0,0,0,0|1,0,1]=4 2694 B11R1.36 [13CH3]C(=O)C(=O)N1CCCCC1 1458a_200011297168_200025704644 [0,2,0,0,0,0|2,0,0]=4 2695 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,2,0,0,0,0|1,0,0]=3 2696 B11R1.28 C#CCCNC1CCCCC1 2230a_100000182618_100000688953 [0,2,0,0,0,0|1,0,1]=4 2697 B11R1.28 C#CCCNC1CCCCC1 34a_100000182618_100000688953 [0,2,0,0,0,0|1,0,1]=4 2698 B11R1.28 C#CCCNC1CCCCC1 34a_100000755551_100000210327 [0,2,0,0,0,0|1,0,1]=4 2699 B11R1.28 C#CCNCC1CCCCC1 2230a_100000210473_100000038162 [0,2,0,0,0,0|1,0,1]=4 2700 B11R1.28 C#CCNCC1CCCCC1 34a_100000210473_100000184674 [0,2,0,0,0,0|1,0,1]=4 2701 B11R1.28 C#CCNCC1CCCCC1 34a_100000212058_100000211423 [0,2,0,0,0,0|1,0,1]=4 2702 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [0,2,0,0,0,0|1,0,0]=3 2703 B11R1.28 C/C=C/CNC1CCCOC1 34a_100000719290_100102629194 [0,2,0,0,0,0|2,0,0]=4 2704 B11R1.28 C/C=C/CNC1CCOCC1 34a_100000741149_100102629194 [0,2,0,0,0,0|2,0,0]=4 2705 B11R1.28 C/C=C/CNC1CCSCC1 34a_100000748639_100102629194 [0,2,0,0,0,0|2,0,0]=4 2706 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [0,2,0,0,0,0|2,0,0]=4 2707 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [0,2,0,0,0,0|2,0,0]=4 2708 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [0,2,0,0,0,0|2,0,0]=4 2709 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [0,2,0,0,0,0|2,0,0]=4 2710 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [0,2,0,0,0,0|2,0,0]=4 2711 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [0,2,0,0,0,0|1,0,0]=3 2712 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [0,2,0,0,0,0|1,0,0]=3 2713 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [0,2,0,0,0,0|1,0,0]=3 2714 B11R1.28 C=CCCNC1CCCOC1 2230a_100000719290_100000754431 [0,2,0,0,0,0|2,0,0]=4 2715 B11R1.28 C=CCCNC1CCCOC1 270004a_100015191253_100000753404 [0,2,0,0,0,0|2,0,0]=4 2716 B11R1.28 C=CCCNC1CCCOC1 34a_100000719290_100000754431 [0,2,0,0,0,0|2,0,0]=4 2717 B11R1.28 C=CCCNC1CCCSC1 270004a_100015191253_100000057913 [0,2,0,0,0,0|2,0,0]=4 2718 B11R1.28 C=CCCNC1CCNCC1 270004a_100015191253_100015192401 [0,2,0,0,0,0|2,0,0]=4 2719 B11R1.28 C=CCCNC1CCOCC1 2230a_100000741149_100000754431 [0,2,0,0,0,0|2,0,0]=4 2720 B11R1.28 C=CCCNC1CCOCC1 270004a_100015191253_100011217826 [0,2,0,0,0,0|2,0,0]=4 2721 B11R1.28 C=CCCNC1CCOCC1 34a_100000741149_100000754431 [0,2,0,0,0,0|2,0,0]=4 2722 B11R1.28 C=CCCNC1CCSCC1 2230a_100000748639_100000754431 [0,2,0,0,0,0|2,0,0]=4 2723 B11R1.28 C=CCCNC1CCSCC1 270004a_100015191253_100000203788 [0,2,0,0,0,0|2,0,0]=4 2724 B11R1.28 C=CCCNC1CCSCC1 34a_100000748639_100000754431 [0,2,0,0,0,0|2,0,0]=4 2725 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [0,2,0,0,0,0|2,0,0]=4 2726 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [0,2,0,0,0,0|2,0,0]=4 2727 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [0,2,0,0,0,0|2,0,0]=4 2728 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [0,2,0,0,0,0|2,0,0]=4 2729 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [0,2,0,0,0,0|2,0,0]=4 2730 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [0,2,0,0,0,0|1,0,0]=3 2731 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [0,2,0,0,0,0|1,0,0]=3 2732 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [0,2,0,0,0,0|1,0,0]=3 2733 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [0,2,0,0,0,0|2,0,0]=4 2734 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [0,2,0,0,0,0|2,0,0]=4 2735 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [0,2,0,0,0,0|2,0,0]=4 2736 B11R1.28 C=CCNCC1CCCOC1 2230a_100000720124_100000210623 [0,2,0,0,0,0|2,0,0]=4 2737 B11R1.28 C=CCNCC1CCCOC1 2230a_100020586998_100000741521 [0,2,0,0,0,0|2,0,0]=4 2738 B11R1.28 C=CCNCC1CCCOC1 34a_100000720124_100015514636 [0,2,0,0,0,0|2,0,0]=4 2739 B11R1.28 C=CCNCC1CCOCC1 2230a_100000746373_100000210623 [0,2,0,0,0,0|2,0,0]=4 2740 B11R1.28 C=CCNCC1CCOCC1 2230a_100020586998_100000754603 [0,2,0,0,0,0|2,0,0]=4 2741 B11R1.28 C=CCNCC1CCOCC1 34a_100000746373_100015514636 [0,2,0,0,0,0|2,0,0]=4 2742 B11R1.28 C=CCNCC1CCSCC1 2230a_100015188806_100000210623 [0,2,0,0,0,0|2,0,0]=4 2743 B11R1.28 C=CCNCC1CCSCC1 270004a_100020586998_100000067145 [0,2,0,0,0,0|2,0,0]=4 2744 B11R1.28 C=CCNCC1CCSCC1 34a_100015188806_100015514636 [0,2,0,0,0,0|2,0,0]=4 2745 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [0,2,0,0,0,0|2,0,0]=4 2746 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [0,2,0,0,0,0|2,0,0]=4 2747 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [0,2,0,0,0,0|2,0,0]=4 2748 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [0,2,0,0,0,0|2,0,0]=4 2749 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [0,2,0,0,0,0|2,0,0]=4 2750 B11R1.28 CC#CCNC1CCCCC1 2230a_100000182618_100000748600 [0,2,0,0,0,0|1,0,1]=4 2751 B11R1.28 CC#CCNC1CCCCC1 34a_100000182618_100000748600 [0,2,0,0,0,0|1,0,1]=4 2752 B11R1.28 CC#CCNC1CCCCC1 34a_100000685387_100000210327 [0,2,0,0,0,0|1,0,1]=4 2753 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [0,2,0,0,0,0|1,0,0]=3 2754 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [0,2,0,0,0,0|1,0,0]=3 2755 B11R1.28 CC=CCNC1CCCOC1 2230a_100000719290_100000070051 [0,2,0,0,0,0|2,0,0]=4 2756 B11R1.28 CC=CCNC1CCCOC1 34a_100000719290_100000070051 [0,2,0,0,0,0|2,0,0]=4 2757 B11R1.28 CC=CCNC1CCOCC1 2230a_100000741149_100000070051 [0,2,0,0,0,0|2,0,0]=4 2758 B11R1.28 CC=CCNC1CCOCC1 34a_100000741149_100000070051 [0,2,0,0,0,0|2,0,0]=4 2759 B11R1.28 CC=CCNC1CCSCC1 2230a_100000748639_100000070051 [0,2,0,0,0,0|2,0,0]=4 2760 B11R1.28 CC=CCNC1CCSCC1 34a_100000748639_100000070051 [0,2,0,0,0,0|2,0,0]=4 2761 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [0,2,0,0,0,0|2,0,0]=4 2762 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [0,2,0,0,0,0|2,0,0]=4 2763 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [0,2,0,0,0,0|2,0,0]=4 2764 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [0,2,0,0,0,0|2,0,0]=4 2765 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [0,2,0,0,0,0|1,0,0]=3 2766 B11R1.28 CC=NNCC1CCOCC1 4a_200000757053_200000210099 [0,2,0,0,0,0|2,0,0]=4 2767 B11R1.28 CCC=NNC1CCCCC1 4a_100000709804_100000210100 [0,2,0,0,0,0|1,0,0]=3 2768 B11R1.28 CCC=NNC1CCOCC1 4a_100000687383_100000210100 [0,2,0,0,0,0|2,0,0]=4 2769 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [0,2,0,0,0,0|1,0,1]=4 2770 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [0,2,0,0,0,0|1,0,1]=4 2771 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [0,2,0,0,0,0|1,0,1]=4 2772 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [0,2,0,0,0,0|1,0,1]=4 2773 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [0,2,0,0,0,0|1,0,1]=4 2774 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [0,2,0,0,0,0|1,0,1]=4 2775 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [0,2,0,0,0,0|1,0,1]=4 2776 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [0,2,0,0,0,0|1,0,1]=4 2777 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [0,2,0,0,0,0|1,0,1]=4 2778 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [0,2,0,0,0,0|1,0,1]=4 2779 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [0,2,0,0,0,0|1,0,1]=4 2780 B11R1.28 CCNCOC1CCCCC1 2230a_100015525214_100011935260 [0,2,0,0,0,0|1,0,1]=4 2781 B11R1.28 CCNN=CC1CCCCC1 4a_100000756455_100000211278 [0,2,0,0,0,0|1,0,1]=4 2782 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [0,2,0,0,0,0|0,0,2]=4 2783 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [0,2,0,0,0,0|0,0,2]=4 2784 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [0,2,0,0,0,0|0,0,2]=4 2785 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [0,2,0,0,0,0|0,0,2]=4 2786 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [0,2,0,0,0,0|0,0,2]=4 2787 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [0,2,0,0,0,0|0,1,1]=4 2788 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [0,2,0,0,0,0|0,1,1]=4 2789 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [0,2,0,0,0,0|0,1,1]=4 2790 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [0,2,0,0,0,0|0,1,1]=4 2791 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [0,2,0,0,0,0|0,1,1]=4 2792 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [0,2,0,0,0,0|1,0,1]=4 2793 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [0,2,0,0,0,0|1,0,1]=4 2794 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [0,2,0,0,0,0|1,0,1]=4 2795 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [0,2,0,0,0,0|1,0,1]=4 2796 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [0,2,0,0,0,0|1,0,1]=4 2797 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [0,2,0,0,0,0|1,0,1]=4 2798 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [0,2,0,0,0,0|1,0,1]=4 2799 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [0,2,0,0,0,0|1,0,1]=4 2800 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [0,2,0,0,0,0|1,0,1]=4 2801 B11R1.28 N#CCCNC1CCCCC1 2230a_100000182618_100011215226 [0,2,0,0,0,0|1,0,1]=4 2802 B11R1.28 N#CCCNC1CCCCC1 270004a_100000720768_100000210434 [0,2,0,0,0,0|1,0,1]=4 2803 B11R1.28 N#CCNCC1CCCCC1 2230a_100000210473_100011215382 [0,2,0,0,0,0|1,0,1]=4 2804 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [0,2,0,0,0,0|0,0,0]=2 2805 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [0,2,0,0,0,0|0,0,0]=2 2806 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [0,2,0,0,0,0|1,0,0]=3 2807 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [0,2,0,0,0,0|1,0,0]=3 2808 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [0,2,0,0,0,0|1,0,0]=3 2809 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [0,2,0,0,0,0|1,0,0]=3 2810 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [0,2,0,0,0,0|1,0,0]=3 2811 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [0,2,0,0,0,0|1,0,0]=3 2812 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [0,2,0,0,0,0|1,0,0]=3 2813 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [0,2,0,0,0,0|1,0,0]=3 2814 B11R1.28 O=CCNC[C@H]1COCCO1 2230a_100010981119_200015260668 [0,2,0,0,0,0|2,0,0]=4 2815 B11R1.28 O=CCNC[C@H]1COCCO1 34a_100010981119_200009817547 [0,2,0,0,0,0|2,0,0]=4 2816 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [0,2,0,0,0,0|1,0,0]=3 2817 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [0,2,0,0,0,0|1,0,0]=3 2818 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [0,2,0,0,0,0|2,0,0]=4 2819 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [0,2,0,0,0,0|2,0,0]=4 2820 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [0,2,0,0,0,0|2,0,0]=4 2821 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [0,2,0,0,0,0|2,0,0]=4 2822 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [0,2,0,0,0,0|2,0,0]=4 2823 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [0,2,0,0,0,0|2,0,0]=4 2824 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [0,2,0,0,0,0|2,0,0]=4 2825 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [0,2,0,0,0,0|2,0,0]=4 2826 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [0,2,0,0,0,0|2,0,0]=4 2827 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [0,2,0,0,0,0|1,0,0]=3 2828 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [0,2,0,0,0,0|1,0,0]=3 2829 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [0,2,0,0,0,0|2,0,0]=4 2830 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [0,2,0,0,0,0|2,0,0]=4 2831 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [0,2,0,0,0,0|2,0,0]=4 2832 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [0,2,0,0,0,0|2,0,0]=4 2833 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [0,2,0,0,0,0|2,0,0]=4 2834 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [0,2,0,0,0,0|2,0,0]=4 2835 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [0,2,0,0,0,0|0,0,2]=4 2836 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [0,2,0,0,0,0|0,0,2]=4 2837 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [0,2,0,0,0,0|0,0,2]=4 2838 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,2,0,0,0,0|0,0,2]=4 2839 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,2,0,0,0,0|0,0,2]=4 2840 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,2,0,0,0,0|0,0,2]=4 2841 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,2,0,0,0,0|0,0,2]=4 2842 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,2,0,0,0,0|0,0,2]=4 2843 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [0,2,0,0,0,0|0,0,2]=4 2844 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,2,0,0,0,0|1,0,0]=3 2845 B11R1.40 C#CC(=O)CC1CCCCO1 1458a_100000211873_100000211543 [0,2,0,0,0,0|2,0,0]=4 2846 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,2,0,0,0,0|2,0,0]=4 2847 B11R1.40 C#CC(=O)CC1CCOCC1 1458a_100000211873_100000754603 [0,2,0,0,0,0|2,0,0]=4 2848 B11R1.40 C#CC(C)NC1CCCCC1 270004a_100000707721_100000210434 [0,2,0,0,0,0|1,0,1]=4 2849 B11R1.40 C#CC(C)NC1CCCCC1 34a_100000182618_200000035995 [0,2,0,0,0,0|1,0,1]=4 2850 B11R1.40 C#CC(C)NC1CCCCC1 34a_100000707721_100000210327 [0,2,0,0,0,0|1,0,1]=4 2851 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,2,0,0,0,0|1,0,0]=3 2852 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,2,0,0,0,0|2,0,0]=4 2853 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,2,0,0,0,0|2,0,0]=4 2854 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,2,0,0,0,0|2,0,0]=4 2855 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,2,0,0,0,0|0,0,0]=2 2856 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,2,0,0,0,0|0,0,0]=2 2857 B11R1.40 C=CC(=O)NC1CCCOC1 1626a_100000719290_100000185746 [0,2,0,0,0,0|1,0,0]=3 2858 B11R1.40 C=CC(=O)NC1CCCOC1 240690a_100000719290_200121576911 [0,2,0,0,0,0|1,0,0]=3 2859 B11R1.40 C=CC(=O)NC1CCOCC1 1626a_100000741149_100000185746 [0,2,0,0,0,0|1,0,0]=3 2860 B11R1.40 C=CC(=O)NC1CCOCC1 240690a_100000741149_200121576911 [0,2,0,0,0,0|1,0,0]=3 2861 B11R1.40 C=CC(=O)NC1CCSCC1 1626a_100000748639_100000185746 [0,2,0,0,0,0|1,0,0]=3 2862 B11R1.40 C=CC(=O)NC1CCSCC1 240690a_100000748639_200121576911 [0,2,0,0,0,0|1,0,0]=3 2863 B11R1.40 C=CC(C)OC1CCCCC1 34a_100000695699_100000210327 [0,2,0,0,0,0|2,0,0]=4 2864 B11R1.40 C=CC(C)SC1CCCCC1 62a_100011215867_100000210327 [0,2,0,0,0,0|2,0,0]=4 2865 B11R1.40 CC(C#N)NC1CCCCC1 2230a_100000182618_100000184139 [0,2,0,0,0,0|1,0,1]=4 2866 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [0,2,0,0,0,0|0,0,2]=4 2867 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [0,2,0,0,0,0|0,0,2]=4 2868 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,2,0,0,0,0|1,0,1]=4 2869 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,2,0,0,0,0|1,0,0]=3 2870 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,2,0,0,0,0|1,0,0]=3 2871 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,2,0,0,0,0|2,0,0]=4 2872 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,2,0,0,0,0|2,0,0]=4 2873 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,2,0,0,0,0|2,0,0]=4 2874 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,2,0,0,0,0|2,0,0]=4 2875 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,2,0,0,0,0|2,0,0]=4 2876 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,2,0,0,0,0|2,0,0]=4 2877 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,2,0,0,0,0|2,0,0]=4 2878 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,2,0,0,0,0|0,0,0]=2 2879 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,2,0,0,0,0|0,0,0]=2 2880 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,2,0,0,0,0|0,0,0]=2 2881 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,2,0,0,0,0|0,0,0]=2 2882 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,2,0,0,0,0|1,0,0]=3 2883 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,2,0,0,0,0|1,0,0]=3 2884 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,2,0,0,0,0|1,0,0]=3 2885 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,2,0,0,0,0|1,0,0]=3 2886 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [0,2,0,0,0,0|1,0,0]=3 2887 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [0,2,0,0,0,0|1,0,0]=3 2888 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [0,2,0,0,0,0|1,0,0]=3 2889 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [0,2,0,0,0,0|1,0,0]=3 2890 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [0,2,0,0,0,0|1,0,0]=3 2891 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [0,2,0,0,0,0|1,0,0]=3 2892 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [0,2,0,0,0,0|1,0,0]=3 2893 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [0,2,0,0,0,0|1,0,0]=3 2894 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [0,2,0,0,0,0|1,0,1]=4 2895 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [0,2,0,0,0,0|1,0,1]=4 2896 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [0,2,0,0,0,0|1,0,1]=4 2897 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,2,0,0,0,0|1,0,1]=4 2898 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,2,0,0,0,0|1,0,1]=4 2899 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,2,0,0,0,0|1,0,1]=4 2900 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,2,0,0,0,0|1,0,1]=4 2901 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,2,0,0,0,0|1,0,1]=4 2902 B11R1.40 CN(CF)CC1CCCCC1 269982a_100000736448_100015361967 [0,2,0,0,0,0|1,0,1]=4 2903 B11R1.40 CN(CF)CC1CCCCC1 34a_100000736448_100015361967 [0,2,0,0,0,0|1,0,1]=4 2904 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,2,0,0,0,0|1,0,1]=4 2905 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,2,0,0,0,0|1,0,1]=4 2906 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,2,0,0,0,0|1,0,1]=4 2907 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,2,0,0,0,0|1,0,0]=3 2908 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,2,0,0,0,0|1,0,0]=3 2909 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,2,0,0,0,0|1,0,0]=3 2910 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,2,0,0,0,0|1,0,0]=3 2911 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,2,0,0,0,0|2,0,0]=4 2912 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,2,0,0,0,0|2,0,0]=4 2913 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,2,0,0,0,0|2,0,0]=4 2914 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,2,0,0,0,0|2,0,0]=4 2915 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,2,0,0,0,0|2,0,0]=4 2916 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,2,0,0,0,0|2,0,0]=4 2917 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,2,0,0,0,0|2,0,0]=4 2918 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,2,0,0,0,0|2,0,0]=4 2919 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [0,2,0,0,0,0|2,0,0]=4 2920 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [0,2,0,0,0,0|2,0,0]=4 2921 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [0,2,0,0,0,0|2,0,0]=4 2922 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [0,2,0,0,0,0|2,0,0]=4 2923 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,2,0,0,0,0|2,0,0]=4 2924 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,2,0,0,0,0|2,0,0]=4 2925 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,2,0,0,0,0|2,0,0]=4 2926 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,2,0,0,0,0|0,0,0]=2 2927 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,2,0,0,0,0|0,0,0]=2 2928 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,2,0,0,0,0|0,0,0]=2 2929 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,2,0,0,0,0|0,0,0]=2 2930 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,2,0,0,0,0|1,0,0]=3 2931 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,2,0,0,0,0|1,0,0]=3 2932 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,2,0,0,0,0|1,0,0]=3 2933 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,2,0,0,0,0|1,0,0]=3 2934 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,2,0,0,0,0|1,0,0]=3 2935 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,2,0,0,0,0|1,0,0]=3 2936 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100000741149_106832991635 [0,2,0,0,0,0|1,0,0]=3 2937 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100102657272_100000741149 [0,2,0,0,0,0|1,0,0]=3 2938 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100000741149_100102657272 [0,2,0,0,0,0|1,0,0]=3 2939 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100102657272_100000741149 [0,2,0,0,0,0|1,0,0]=3 2940 B11R1.40 CNC(=O)NC1CCOCC1 512a_100000741149_100102657272 [0,2,0,0,0,0|1,0,0]=3 2941 B11R1.40 CNC(=O)NC1CCOCC1 512a_106832991638_100000741149 [0,2,0,0,0,0|1,0,0]=3 2942 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100000748639_106832991635 [0,2,0,0,0,0|1,0,0]=3 2943 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100102657272_100000748639 [0,2,0,0,0,0|1,0,0]=3 2944 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100000748639_100102657272 [0,2,0,0,0,0|1,0,0]=3 2945 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100102657272_100000748639 [0,2,0,0,0,0|1,0,0]=3 2946 B11R1.40 CNC(=O)NC1CCSCC1 512a_100000748639_100102657272 [0,2,0,0,0,0|1,0,0]=3 2947 B11R1.40 CNC(=O)NC1CCSCC1 512a_106832991638_100000748639 [0,2,0,0,0,0|1,0,0]=3 2948 B11R1.40 C[C@H](CF)NC1CCCCC1 270004a_100102880703_100000210434 [0,2,0,0,0,0|1,0,1]=4 2949 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [0,2,0,0,0,0|0,0,2]=4 2950 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,2,0,0,0,0|1,0,1]=4 2951 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,2,0,0,0,0|1,0,0]=3 2952 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,2,0,0,0,0|2,0,0]=4 2953 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,2,0,0,0,0|2,0,0]=4 2954 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [0,2,0,0,0,0|2,0,0]=4 2955 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [0,2,0,0,0,0|2,0,0]=4 2956 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,2,0,0,0,0|1,0,0]=3 2957 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,2,0,0,0,0|2,0,0]=4 2958 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,2,0,0,0,0|2,0,0]=4 2959 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,2,0,0,0,0|2,0,0]=4 2960 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,2,0,0,0,0|0,0,0]=2 2961 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,2,0,0,0,0|0,0,0]=2 2962 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,2,0,0,0,0|1,0,0]=3 2963 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,2,0,0,0,0|1,0,0]=3 2964 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [0,2,0,0,0,0|1,0,0]=3 2965 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [0,2,0,0,0,0|1,0,0]=3 2966 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [0,2,0,0,0,0|1,0,0]=3 2967 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [0,2,0,0,0,0|1,0,0]=3 2968 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,2,0,0,0,0|1,0,0]=3 2969 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,2,0,0,0,0|1,0,0]=3 2970 B11R1.91 C=C(C)CNC1CCCOC1 2230a_100000719290_100000748629 [0,2,0,0,0,0|2,0,0]=4 2971 B11R1.91 C=C(C)CNC1CCCOC1 34a_100000719290_100000748629 [0,2,0,0,0,0|2,0,0]=4 2972 B11R1.91 C=C(C)CNC1CCOCC1 2230a_100000741149_100000748629 [0,2,0,0,0,0|2,0,0]=4 2973 B11R1.91 C=C(C)CNC1CCOCC1 34a_100000741149_100000748629 [0,2,0,0,0,0|2,0,0]=4 2974 B11R1.91 C=C(C)CNC1CCSCC1 2230a_100000748639_100000748629 [0,2,0,0,0,0|2,0,0]=4 2975 B11R1.91 C=C(C)CNC1CCSCC1 34a_100000748639_100000748629 [0,2,0,0,0,0|2,0,0]=4 2976 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,2,0,0,0,0|2,0,0]=4 2977 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,2,0,0,0,0|2,0,0]=4 2978 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,2,0,0,0,0|2,0,0]=4 2979 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,2,0,0,0,0|2,0,0]=4 2980 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,2,0,0,0,0|2,0,0]=4 2981 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [0,2,0,0,0,0|1,0,0]=3 2982 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [0,2,0,0,0,0|1,0,0]=3 2983 B11R1.91 C=C(F)CNC1CCCOC1 2230a_100000719290_100009893438 [0,2,0,0,0,0|2,0,0]=4 2984 B11R1.91 C=C(F)CNC1CCCOC1 34a_100000719290_100009893438 [0,2,0,0,0,0|2,0,0]=4 2985 B11R1.91 C=C(F)CNC1CCOCC1 2230a_100000741149_100009893438 [0,2,0,0,0,0|2,0,0]=4 2986 B11R1.91 C=C(F)CNC1CCOCC1 34a_100000741149_100009893438 [0,2,0,0,0,0|2,0,0]=4 2987 B11R1.91 C=C(F)CNC1CCSCC1 2230a_100000748639_100009893438 [0,2,0,0,0,0|2,0,0]=4 2988 B11R1.91 C=C(F)CNC1CCSCC1 34a_100000748639_100009893438 [0,2,0,0,0,0|2,0,0]=4 2989 B11R1.91 C=C(F)COC1CCCCC1 34a_100000210231_100009893438 [0,2,0,0,0,0|2,0,0]=4 2990 B11R1.91 C=C(F)COC1CCCCC1 34a_200010262243_100000210327 [0,2,0,0,0,0|2,0,0]=4 2991 B11R1.91 C=C(F)COC1CCCCC1 7a_100000210231_100000042424 [0,2,0,0,0,0|2,0,0]=4 2992 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000042424_100000210327 [0,2,0,0,0,0|2,0,0]=4 2993 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000210327_100000042424 [0,2,0,0,0,0|2,0,0]=4 2994 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,2,0,0,0,0|1,0,0]=3 2995 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,2,0,0,0,0|1,0,0]=3 2996 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,2,0,0,0,0|1,0,0]=3 2997 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,2,0,0,0,0|2,0,0]=4 2998 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,2,0,0,0,0|2,0,0]=4 2999 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,2,0,0,0,0|2,0,0]=4 3000 B11R1.91 CC(=O)CNC1=NCCCC1 1458a_100000118790_200000210301 [0,2,0,0,0,0|1,0,1]=4 3001 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,2,0,0,0,0|1,0,0]=3 3002 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,2,0,0,0,0|1,0,0]=3 3003 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,2,0,0,0,0|1,0,0]=3 3004 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,2,0,0,0,0|2,0,0]=4 3005 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,2,0,0,0,0|2,0,0]=4 3006 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,2,0,0,0,0|0,0,0]=2 3007 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,2,0,0,0,0|0,0,0]=2 3008 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,2,0,0,0,0|0,0,0]=2 3009 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,2,0,0,0,0|0,0,0]=2 3010 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,2,0,0,0,0|1,0,0]=3 3011 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,2,0,0,0,0|1,0,0]=3 3012 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,2,0,0,0,0|1,0,0]=3 3013 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,2,0,0,0,0|1,0,0]=3 3014 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,2,0,0,0,0|1,0,0]=3 3015 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,2,0,0,0,0|1,0,0]=3 3016 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,2,0,0,0,0|1,0,0]=3 3017 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,2,0,0,0,0|1,0,0]=3 3018 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,2,0,0,0,0|1,0,0]=3 3019 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,2,0,0,0,0|1,0,0]=3 3020 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,2,0,0,0,0|1,0,0]=3 3021 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,2,0,0,0,0|1,0,0]=3 3022 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,2,0,0,0,0|1,0,0]=3 3023 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,2,0,0,0,0|1,0,0]=3 3024 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,2,0,0,0,0|1,0,0]=3 3025 B11R1.91 CC(=O)NC[C@H]1COCCO1 11a_100010981119_100015343762 [0,2,0,0,0,0|2,0,0]=4 3026 B11R1.91 CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100015343762 [0,2,0,0,0,0|2,0,0]=4 3027 B11R1.91 CC(=O)NC[C@H]1COCCO1 240690a_100010981119_100015343762 [0,2,0,0,0,0|2,0,0]=4 3028 B11R1.91 CC(=O)NC[C@H]1COCCO1 527a_100010981119_100103153847 [0,2,0,0,0,0|2,0,0]=4 3029 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [0,2,0,0,0,0|0,0,1]=3 3030 B11R1.91 CC(=O)NN=C1CCCOC1 4a_100000189765_100000753404 [0,2,0,0,0,0|1,0,1]=4 3031 B11R1.91 CC(=O)NN=C1CCCSC1 4a_100000189765_100000057913 [0,2,0,0,0,0|1,0,1]=4 3032 B11R1.91 CC(=O)NN=C1CCOCC1 4a_100000189765_100011217826 [0,2,0,0,0,0|1,0,1]=4 3033 B11R1.91 CC(=O)NN=C1CCSCC1 4a_100000189765_100000203788 [0,2,0,0,0,0|1,0,1]=4 3034 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,2,0,0,0,0|0,0,0]=2 3035 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [0,2,0,0,0,0|1,0,0]=3 3036 B11R1.91 CC(C)CNC1CCCCC1 2230a_100000182618_100000210760 [0,2,0,0,0,0|1,0,1]=4 3037 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000182618_100000210432 [0,2,0,0,0,0|1,0,1]=4 3038 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000210953_100000210434 [0,2,0,0,0,0|1,0,1]=4 3039 B11R1.91 CC(C)CNC1CCCCC1 34a_100000182618_100000210624 [0,2,0,0,0,0|1,0,1]=4 3040 B11R1.91 CC(C)CNC1CCCCC1 34a_100000210953_100000210327 [0,2,0,0,0,0|1,0,1]=4 3041 B11R1.91 CC(C)NCC1CCCCC1 2230a_100000210473_100000210206 [0,2,0,0,0,0|1,0,1]=4 3042 B11R1.91 CC(C)NCC1CCCCC1 2230a_100138425928_100000211423 [0,2,0,0,0,0|1,0,1]=4 3043 B11R1.91 CC(C)NCC1CCCCC1 34a_100000210473_100000210206 [0,2,0,0,0,0|1,0,1]=4 3044 B11R1.91 CC(C)NCC1CCCCC1 34a_100138425928_100000211423 [0,2,0,0,0,0|1,0,1]=4 3045 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,2,0,0,0,0|0,0,2]=4 3046 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,2,0,0,0,0|0,0,2]=4 3047 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,2,0,0,0,0|0,0,2]=4 3048 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,2,0,0,0,0|0,0,2]=4 3049 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,2,0,0,0,0|0,0,2]=4 3050 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,2,0,0,0,0|0,0,2]=4 3051 B11R1.91 FC(F)CNC1CCCCC1 2230a_100000182618_100011934356 [0,2,0,0,0,0|1,0,1]=4 3052 B11R1.91 FC(F)CNC1CCCCC1 270004a_100000765723_100000210434 [0,2,0,0,0,0|1,0,1]=4 3053 B11R1.91 FC(F)CNC1CCCCC1 34a_100000182618_100011934356 [0,2,0,0,0,0|1,0,1]=4 3054 B11R1.91 FC(F)CNC1CCCCC1 34a_100000765723_100000210327 [0,2,0,0,0,0|1,0,1]=4 3055 B11R1.91 NC(=O)CNC1C=CCCC1 2230a_100000711301_100000751183 [0,2,0,0,0,0|0,0,2]=4 3056 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,2,0,0,0,0|0,0,0]=2 3057 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,2,0,0,0,0|0,0,0]=2 3058 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,2,0,0,0,0|1,0,0]=3 3059 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,2,0,0,0,0|1,0,0]=3 3060 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [0,2,0,0,0,0|1,0,0]=3 3061 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [0,2,0,0,0,0|1,0,0]=3 3062 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [0,2,0,0,0,0|1,0,0]=3 3063 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [0,2,0,0,0,0|1,0,0]=3 3064 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,2,0,0,0,0|1,0,0]=3 3065 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,2,0,0,0,0|1,0,0]=3 3066 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [0,2,0,0,0,0|2,0,0]=4 3067 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,2,0,0,0,0|2,0,0]=4 3068 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [0,2,0,0,0,0|2,0,0]=4 3069 B11R1.91 NC(=O)COC1CCOCC1 34a_100000744328_100000187820 [0,2,0,0,0,0|2,0,0]=4 3070 B11R1.91 NC(=O)COC1CCSCC1 34a_100000731022_100000187820 [0,2,0,0,0,0|2,0,0]=4 3071 B11R1.91 NC(=O)COC1CCSCC1 7a_100000731022_100000187820 [0,2,0,0,0,0|2,0,0]=4 3072 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,2,0,0,0,0|1,0,0]=3 3073 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,2,0,0,0,0|1,0,0]=3 3074 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,2,0,0,0,0|2,0,0]=4 3075 B11R1.91 NC(=O)CSC1CCOCC1 62a_100000747473_100011324220 [0,2,0,0,0,0|2,0,0]=4 3076 B11R1.91 NC(=O)CSC1CCSCC1 62a_100000747473_100000069128 [0,2,0,0,0,0|2,0,0]=4 3077 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [0,2,0,0,0,0|0,0,2]=4 3078 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,2,0,0,0,0|0,0,0]=2 3079 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,2,0,0,0,0|1,0,0]=3 3080 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,2,0,0,0,0|1,0,0]=3 3081 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,2,0,0,0,0|1,0,0]=3 3082 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,2,0,0,0,0|0,0,0]=2 3083 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,2,0,0,0,0|1,0,0]=3 3084 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [0,2,0,0,0,0|1,0,0]=3 3085 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [0,2,0,0,0,0|1,0,0]=3 3086 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,2,0,0,0,0|1,0,0]=3 3087 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [0,2,0,0,0,0|2,0,0]=4 3088 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,2,0,0,0,0|2,0,0]=4 3089 B11R1.91 O=C([O-])COC1CCOCC1 34a_100000744328_100020667443 [0,2,0,0,0,0|2,0,0]=4 3090 B11R1.91 O=C([O-])COC1CCSCC1 34a_100000731022_100020667443 [0,2,0,0,0,0|2,0,0]=4 3091 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,2,0,0,0,0|1,0,0]=3 3092 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,2,0,0,0,0|1,0,0]=3 3093 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,2,0,0,0,0|2,0,0]=4 3094 B11R1.91 O=C([O-])CSC1CCOCC1 62a_100020667443_100011324220 [0,2,0,0,0,0|2,0,0]=4 3095 B11R1.91 O=C([O-])CSC1CCSCC1 62a_100020667443_100000069128 [0,2,0,0,0,0|2,0,0]=4 3096 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [0,2,0,0,0,0|0,0,1]=3 3097 B11R1.91 O=[N+]([O-])CNC1CCCOC1 34a_100000719290_100000761209 [0,2,0,0,0,0|1,0,1]=4 3098 B11R1.91 O=[N+]([O-])CNC1CCOCC1 34a_100000741149_100000761209 [0,2,0,0,0,0|1,0,1]=4 3099 B11R1.91 O=[N+]([O-])CNC1CCSCC1 34a_100000748639_100000761209 [0,2,0,0,0,0|1,0,1]=4 3100 B11R1.91 O=[N+]([O-])COC1CCCCC1 34a_100000210231_100000761209 [0,2,0,0,0,0|1,0,1]=4 3101 B11R1.91 O=[N+]([O-])CSC1CCCCC1 62a_100000210327_100000761209 [0,2,0,0,0,0|1,0,1]=4 3102 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,2,0,0,0,0|1,0,0]=3 3103 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,2,0,0,0,0|1,0,0]=3 3104 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,2,0,0,0,0|2,0,0]=4 3105 B11R1.91 [13CH3]C(=O)CNC1=NCCCC1 1458a_100000118790_200025704644 [0,2,0,0,0,0|1,0,1]=4 3106 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,2,0,0,0,0|1,0,0]=3 3107 B11R1.900 C#CCNC1(CCCCC1)C 2230a_100000741114_100000038162 [0,2,0,0,0,0|1,0,1]=4 3108 B11R1.900 C#CCNC1(CCCCC1)C 34a_100000741114_100000184674 [0,2,0,0,0,0|1,0,1]=4 3109 B11R1.900 C=CCNC1(CCCCC1)C 2230a_100000741114_100000210623 [0,2,0,0,0,0|1,0,0]=3 3110 B11R1.900 C=CCNC1(CCCCC1)C 34a_100000741114_100015514636 [0,2,0,0,0,0|1,0,0]=3 3111 B11R1.900 C=CCNC1(CCOCC1)C 2230a_100000692449_100000210623 [0,2,0,0,0,0|2,0,0]=4 3112 B11R1.900 C=CCNC1(CCOCC1)C 34a_100000692449_100015514636 [0,2,0,0,0,0|2,0,0]=4 3113 B11R1.900 C=CCOC1(CCCCC1)C 34a_100011215885_100015514636 [0,2,0,0,0,0|2,0,0]=4 3114 B11R1.900 C=CCOC1(CCCCC1)C 7a_100011215885_100015514636 [0,2,0,0,0,0|2,0,0]=4 3115 B11R1.900 CC1(CCCCC1)CNCF 34a_100000706052_100015361967 [0,2,0,0,0,0|1,0,1]=4 3116 B11R1.900 CC1(CCCCC1)NCC#N 2230a_100000741114_100011215382 [0,2,0,0,0,0|1,0,1]=4 3117 B11R1.900 CC1(CCCCC1)NCC=O 2230a_100000741114_200015260668 [0,2,0,0,0,0|0,0,0]=2 3118 B11R1.900 CC1(CCCCC1)NCC=O 34a_100000741114_200009817547 [0,2,0,0,0,0|0,0,0]=2 3119 B11R1.900 CC1(CCCCC1)NCCF 2230a_100000741114_100011217306 [0,2,0,0,0,0|1,0,1]=4 3120 B11R1.900 CC1(CCCCC1)NCCF 34a_100000741114_100011217306 [0,2,0,0,0,0|1,0,1]=4 3121 B11R1.900 CC1(CCCCC1)NCCO 2230a_100000741114_100000211926 [0,2,0,0,0,0|0,0,2]=4 3122 B11R1.900 CC1(CCCCC1)NCCO 34a_100000741114_100000211926 [0,2,0,0,0,0|0,0,2]=4 3123 B11R1.900 CC1(CCCCC1)OCC=O 34a_100011215885_200009817547 [0,2,0,0,0,0|1,0,0]=3 3124 B11R1.900 CC1(CCCCC1)OCC=O 7a_100011215885_200015260668 [0,2,0,0,0,0|1,0,0]=3 3125 B11R1.900 CC1(CCOCC1)NCC=O 2230a_100000692449_200015260668 [0,2,0,0,0,0|1,0,0]=3 3126 B11R1.900 CC1(CCOCC1)NCC=O 34a_100000692449_200009817547 [0,2,0,0,0,0|1,0,0]=3 3127 B11R1.900 CC1(CCOCC1)OCC=O 34a_100011827762_200009817547 [0,2,0,0,0,0|2,0,0]=4 3128 B11R1.900 CC1(CCOCC1)OCC=O 7a_100011827762_200015260668 [0,2,0,0,0,0|2,0,0]=4 3129 B11R1.900 CC1(CCSCC1)OCC=O 34a_200011004327_200009817547 [0,2,0,0,0,0|2,0,0]=4 3130 B11R1.900 CC1(CCSCC1)OCC=O 7a_200011004327_200015260668 [0,2,0,0,0,0|2,0,0]=4 3131 B11R1.900 CCCNC1(CCCCC1)C 2230a_100000741114_100000210303 [0,2,0,0,0,0|1,0,1]=4 3132 B11R1.900 CCCNC1(CCCCC1)C 34a_100000741114_100000210303 [0,2,0,0,0,0|1,0,1]=4 3133 B11R1.900 CCNCC1(CCCCC1)C 2230a_100000706052_100000210202 [0,2,0,0,0,0|1,0,1]=4 3134 B11R1.900 CCNCC1(CCCCC1)C 269862a_100015525214_100011935227 [0,2,0,0,0,0|1,0,1]=4 3135 B11R1.900 CCNCC1(CCCCC1)C 34a_100000706052_100000210202 [0,2,0,0,0,0|1,0,1]=4 3136 B11R1.900 CCNCC1(CCCCC1)O 2230a_100000748649_100000210202 [0,2,0,0,0,0|1,0,1]=4 3137 B11R1.900 CCNCC1(CCCCC1)O 34a_100000748649_100000210202 [0,2,0,0,0,0|1,0,1]=4 3138 B11R1.900 COCNC1(CCCCC1)C 2230a_100000741114_100000766300 [0,2,0,0,0,0|0,0,2]=4 3139 B11R1.900 CSCNC1(CCCCC1)C 2230a_100000741114_100011218213 [0,2,0,0,0,0|0,1,1]=4 3140 B11R1.900 CSCNC1(CCCCC1)C 34a_100000741114_100011218213 [0,2,0,0,0,0|0,1,1]=4 3141 B11R1.900 OC1(CCCCC1)CNCF 34a_100000748649_100015361967 [0,2,0,0,0,0|1,0,1]=4 3142 B11R1.509 CC(C)(C)NC1CCCCC1 34a_100000182618_100000210625 [0,2,0,0,0,0|1,0,1]=4 3143 B11R1.509 CS(=O)(=O)NC1CCCCC1 40a_100000182618_100000738038 [0,2,0,0,0,0|1,0,0]=3 3144 B11R1.509 CS(=O)(=O)NC1CCCOC1 40a_100000719290_100000738038 [0,2,0,0,0,0|2,0,0]=4 3145 B11R1.509 CS(=O)(=O)NC1CCOCC1 40a_100000741149_100000738038 [0,2,0,0,0,0|2,0,0]=4 3146 B11R1.509 CS(=O)(=O)NC1CCSCC1 40a_100000748639_100000738038 [0,2,0,0,0,0|2,0,0]=4 3147 B11R1.509 FC(F)(F)NC1CCCCC1 34a_100000182618_200103152311 [0,2,0,0,0,0|1,0,1]=4 3148 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,2,0,0,0,0|1,0,0]=3 3149 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,2,0,0,0,0|0,0,0]=2 3150 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,2,0,0,0,0|0,0,0]=2 3151 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,2,0,0,0,0|0,0,0]=2 3152 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,2,0,0,0,0|0,0,0]=2 3153 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [0,2,0,0,0,0|1,0,0]=3 3154 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [0,2,0,0,0,0|1,0,0]=3 3155 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [0,2,0,0,0,0|1,0,0]=3 3156 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [0,2,0,0,0,0|1,0,0]=3 3157 B11R1.928 CC(C)NC1(CCCCC1)C 2230a_100000741114_100000210206 [0,2,0,0,0,0|1,0,1]=4 3158 B11R1.928 CC(C)NC1(CCCCC1)C 34a_100000741114_100000210206 [0,2,0,0,0,0|1,0,1]=4 3159 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,2,0,0,0,0|1,0,0]=3 3160 B11R1.1253 C#CC1(CCCCC1)NCC 2230a_100132314160_100000210202 [0,2,0,0,0,0|1,0,1]=4 3161 B11R1.1253 C#CC1(CCCCC1)NCC 34a_100132314160_100000210202 [0,2,0,0,0,0|1,0,1]=4 3162 B11R1.1253 C#CC1(CCCCC1)NCF 34a_100132314160_100015361967 [0,2,0,0,0,0|1,0,1]=4 3163 B11R1.1253 C=CCC1(CCCCC1)OC 34a_200011216858_200000210301 [0,2,0,0,0,0|2,0,0]=4 3164 B11R1.1253 C=CCC1(CCCCC1)OC 7a_200011216858_200000210301 [0,2,0,0,0,0|2,0,0]=4 3165 B11R1.1253 C=CCC1(CCCCC1)O[13CH3] 34a_200011216858_200025704644 [0,2,0,0,0,0|2,0,0]=4 3166 B11R1.1253 C=CCC1(CCCCC1)O[13CH3] 7a_200011216858_200025704644 [0,2,0,0,0,0|2,0,0]=4 3167 B11R1.1253 CCNC1(CCCCC1)C#N 34a_100000184641_100000210202 [0,2,0,0,0,0|1,0,1]=4 3168 B11R1.1253 CCNC1(CCCCC1)CO 2230a_100000740034_100000210202 [0,2,0,0,0,0|1,0,1]=4 3169 B11R1.1253 CCNC1(CCCCC1)CO 34a_100000740034_100000210202 [0,2,0,0,0,0|1,0,1]=4 3170 B11R1.1253 N#CC1(CCCCC1)NCF 34a_100000184641_100015361967 [0,2,0,0,0,0|1,0,1]=4 3171 B11R1.1253 OCC1(CCCCC1)NCF 34a_100000740034_100015361967 [0,2,0,0,0,0|1,0,1]=4 3172 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,1,1,0,0|2,0,0]=4 3173 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,1,1,0,0|2,0,0]=4 3174 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,1,1,0,0|2,0,0]=4 3175 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,1,1,0,0|2,0,0]=4 3176 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,1,1,0,0|2,0,0]=4 3177 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,0,1,1,0,0|2,0,0]=4 3178 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,0,1,1,0,0|2,0,0]=4 3179 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,0,1,1,0,0|2,0,0]=4 3180 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,0,1,1,0,0|2,0,0]=4 3181 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,0,1,1,0,0|2,0,0]=4 3182 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,0,1,1,0,0|2,0,0]=4 3183 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,0,1,1,0,0|2,0,0]=4 3184 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,0,1,1,0,0|2,0,0]=4 3185 B9R1.27 CC1CCC(N1CF)C 269982a_100000687148_100015361967 [0,0,1,1,0,0|1,0,1]=4 3186 B9R1.27 CC1CCC(N1CF)C 34a_100000687148_100015361967 [0,0,1,1,0,0|1,0,1]=4 3187 B9R1.27 CCN1C(CCC1C)C 2230a_100000687148_100000210202 [0,0,1,1,0,0|1,0,1]=4 3188 B9R1.27 CCN1C(CCC1C)C 269982a_100000687148_100000204670 [0,0,1,1,0,0|1,0,1]=4 3189 B9R1.27 CCN1C(CCC1C)C 34a_100000687148_100000210202 [0,0,1,1,0,0|1,0,1]=4 3190 B9R1.58 CCC1CN(C1)CC=O 2230a_100015205115_200015260668 [0,0,1,1,0,0|2,0,0]=4 3191 B9R1.58 CCC1CN(C1)CC=O 269982a_100015205115_200015260668 [0,0,1,1,0,0|2,0,0]=4 3192 B9R1.73 CC(NCF)C1CCC1 34a_100016994624_100015361967 [0,0,1,1,0,0|1,0,1]=4 3193 B9R1.73 CCNC(C)C1CCC1 2230a_100016994624_100000210202 [0,0,1,1,0,0|1,0,1]=4 3194 B9R1.73 CCNC(C)C1CCC1 269862a_100015525214_100000760154 [0,0,1,1,0,0|1,0,1]=4 3195 B9R1.73 CCNC(C)C1CCC1 34a_100016994624_100000210202 [0,0,1,1,0,0|1,0,1]=4 3196 B9R1.73 CN(CC=O)C1CCC1 2230a_100000758072_200015260668 [0,0,1,1,0,0|2,0,0]=4 3197 B9R1.73 CN(CC=O)C1CCC1 269982a_100000758072_200015260668 [0,0,1,1,0,0|2,0,0]=4 3198 B9R1.73 CN(CC=O)C1CCC1 34a_100000758072_200009817547 [0,0,1,1,0,0|2,0,0]=4 3199 B9R1.75 CCNC(C)CC1CC1 270004a_100015525214_200000686933 [0,0,1,1,0,0|1,0,1]=4 3200 B9R1.75 CN(CC=O)CC1CC1 2230a_100000741881_200015260668 [0,0,1,1,0,0|2,0,0]=4 3201 B9R1.75 CN(CC=O)CC1CC1 269982a_100000741881_200015260668 [0,0,1,1,0,0|2,0,0]=4 3202 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,0,1,1,0,0|1,0,1]=4 3203 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,0,1,1,0,0|1,0,1]=4 3204 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,0,1,1,0,0|1,0,1]=4 3205 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [0,0,1,1,0,0|1,0,1]=4 3206 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [0,0,1,1,0,0|1,0,1]=4 3207 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [0,0,1,1,0,0|2,0,0]=4 3208 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [0,0,1,1,0,0|2,0,0]=4 3209 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [0,0,1,1,0,0|2,0,0]=4 3210 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [0,0,1,1,0,0|2,0,0]=4 3211 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [0,0,1,1,0,0|2,0,0]=4 3212 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [0,0,1,1,0,0|2,0,0]=4 3213 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [0,0,1,1,0,0|2,0,0]=4 3214 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [0,0,1,1,0,0|2,0,0]=4 3215 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,1,1,0,0|2,0,0]=4 3216 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,1,1,0,0|2,0,0]=4 3217 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,1,1,0,0|2,0,0]=4 3218 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,1,1,0,0|2,0,0]=4 3219 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,1,1,0,0|2,0,0]=4 3220 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,1,1,0,0|2,0,0]=4 3221 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,1,1,0,0|2,0,0]=4 3222 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,1,1,0,0|2,0,0]=4 3223 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,1,1,0,0|2,0,0]=4 3224 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,0,1,1,0,0|2,0,0]=4 3225 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [0,0,1,1,0,0|2,0,0]=4 3226 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [0,0,1,1,0,0|2,0,0]=4 3227 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [0,0,1,1,0,0|2,0,0]=4 3228 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [0,0,1,1,0,0|2,0,0]=4 3229 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [0,0,1,1,0,0|2,0,0]=4 3230 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,0,1,1,0,0|1,0,1]=4 3231 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,0,1,1,0,0|1,0,1]=4 3232 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,0,1,1,0,0|1,0,1]=4 3233 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,0,1,1,0,0|1,0,1]=4 3234 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,0,1,1,0,0|1,0,1]=4 3235 B9R1.43 CCC(NCF)C1CC1 34a_100025715781_100015361967 [0,0,1,1,0,0|1,0,1]=4 3236 B9R1.43 CCN(CC=O)C1CC1 2230a_100000738653_200015260668 [0,0,1,1,0,0|2,0,0]=4 3237 B9R1.43 CCN(CC=O)C1CC1 269982a_100000738653_200015260668 [0,0,1,1,0,0|2,0,0]=4 3238 B9R1.43 CCNC(CC)C1CC1 2230a_100025715781_100000210202 [0,0,1,1,0,0|1,0,1]=4 3239 B9R1.43 CCNC(CC)C1CC1 269862a_100015525214_100000759681 [0,0,1,1,0,0|1,0,1]=4 3240 B9R1.43 CCNC(CC)C1CC1 34a_100025715781_100000210202 [0,0,1,1,0,0|1,0,1]=4 3241 B9R1.182 CCCC1(CC1)NCC 2230a_100015185929_100000210202 [0,0,1,1,0,0|1,0,1]=4 3242 B9R2.24 CN1C2CCC1CC2 2230a_100000735658_200000210301 [1,0,0,1,0,0|0,0,1]=3 3243 B9R2.24 CN1C2CCC1CC2 269982a_100000735658_200000210301 [1,0,0,1,0,0|0,0,1]=3 3244 B9R2.24 CN1C2CCC1CC2 34a_100000735658_200000210301 [1,0,0,1,0,0|0,0,1]=3 3245 B9R2.24 [13CH3]N1C2CCC1CC2 2230a_100000735658_200025704644 [1,0,0,1,0,0|0,0,1]=3 3246 B9R2.24 [13CH3]N1C2CCC1CC2 269982a_100000735658_200025704644 [1,0,0,1,0,0|0,0,1]=3 3247 B9R2.24 [13CH3]N1C2CCC1CC2 34a_100000735658_200025704644 [1,0,0,1,0,0|0,0,1]=3 3248 B9R2.47 CNC1CC2CC2C1 270004a_106832991635_100010340937 [1,0,0,1,0,0|0,0,1]=3 3249 B9R2.65 CNC1C2C1COC2 2230a_100000702821_200000210301 [1,0,0,1,0,0|1,0,1]=4 3250 B9R2.65 CNC1C2C1COC2 34a_100000702821_200000210301 [1,0,0,1,0,0|1,0,1]=4 3251 B9R2.65 [13CH3]NC1C2C1COC2 2230a_100000702821_200025704644 [1,0,0,1,0,0|1,0,1]=4 3252 B9R2.65 [13CH3]NC1C2C1COC2 34a_100000702821_200025704644 [1,0,0,1,0,0|1,0,1]=4 3253 B9R2.70 CNC1CCC2C1C2 269862a_106832991636_100000692480 [1,0,0,1,0,0|0,0,1]=3 3254 B9R2.70 CNC1CCC2C1C2 270004a_106832991635_100000692480 [1,0,0,1,0,0|0,0,1]=3 3255 B9R2.70 COC1CCC2C1C2 34a_200012295571_200000210301 [1,0,0,1,0,0|1,0,1]=4 3256 B9R2.70 [13CH3]OC1CCC2C1C2 34a_200012295571_200025704644 [1,0,0,1,0,0|1,0,1]=4 3257 B11R2.232 CCN1C2CCC1COC2 2230a_100015205251_100000210202 [0,0,0,1,0,1|1,0,1]=4 3258 B11R2.232 CCN1C2CCC1COC2 269982a_100015205251_100000204670 [0,0,0,1,0,1|1,0,1]=4 3259 B11R2.232 CCN1C2CCC1COC2 34a_100015205251_100000210202 [0,0,0,1,0,1|1,0,1]=4 3260 B11R2.232 FCN1C2CCC1COC2 269982a_100015205251_100015361967 [0,0,0,1,0,1|1,0,1]=4 3261 B11R2.232 FCN1C2CCC1COC2 34a_100015205251_100015361967 [0,0,0,1,0,1|1,0,1]=4 3262 B11R2.641 CCNC1CCCC2C1C2 269862a_100015525214_100000697651 [0,0,0,1,0,1|1,0,1]=4 3263 B11R2.164 CCN1CC2CCC1CC2 2230a_100000750499_100000210202 [0,1,0,1,0,0|1,0,1]=4 3264 B11R2.164 CCN1CC2CCC1CC2 269982a_100000750499_100000204670 [0,1,0,1,0,0|1,0,1]=4 3265 B11R2.164 CCN1CC2CCC1CC2 34a_100000750499_100000210202 [0,1,0,1,0,0|1,0,1]=4 3266 B11R2.164 FCN1CC2CCC1CC2 269982a_100000750499_100015361967 [0,1,0,1,0,0|1,0,1]=4 3267 B11R2.164 FCN1CC2CCC1CC2 34a_100000750499_100015361967 [0,1,0,1,0,0|1,0,1]=4 3268 B11R2.248 CCNC1CC2CCC1C2 2230a_100000758229_100000210202 [0,1,0,1,0,0|1,0,1]=4 3269 B11R2.248 CCNC1CC2CCC1C2 269862a_100015525214_100000223372 [0,1,0,1,0,0|1,0,1]=4 3270 B11R2.248 CCNC1CC2CCC1C2 270004a_100015525214_100000223372 [0,1,0,1,0,0|1,0,1]=4 3271 B11R2.248 CCNC1CC2CCC1C2 34a_100000758229_100000210202 [0,1,0,1,0,0|1,0,1]=4 3272 B11R2.248 FCNC1CC2CCC1C2 34a_100000758229_100015361967 [0,1,0,1,0,0|1,0,1]=4 3273 B11R2.248 O=CCN1CC2CCC1C2 2230a_100000743476_200015260668 [0,1,0,1,0,0|2,0,0]=4 3274 B11R2.248 O=CCN1CC2CCC1C2 269982a_100000743476_200015260668 [0,1,0,1,0,0|2,0,0]=4 3275 B11R2.248 O=CCN1CC2CCC1C2 34a_100000743476_200009817547 [0,1,0,1,0,0|2,0,0]=4 3276 B11R2.239 C1CCC(CC1)N2CCC2 269982a_100000754969_100000210327 [0,1,0,1,0,0|1,0,1]=4 3277 B11R2.76 C#CCN1C2CCC1CC2 2230a_100000735658_100000038162 [0,1,0,1,0,0|1,0,1]=4 3278 B11R2.76 C#CCN1C2CCC1CC2 34a_100000735658_100000184674 [0,1,0,1,0,0|1,0,1]=4 3279 B11R2.76 C=CCN1C2CCC1CC2 2230a_100000735658_100000210623 [0,1,0,1,0,0|1,0,0]=3 3280 B11R2.76 C=CCN1C2CCC1CC2 269982a_100000735658_100000210623 [0,1,0,1,0,0|1,0,0]=3 3281 B11R2.76 C=CCN1C2CCC1CC2 34a_100000735658_100015514636 [0,1,0,1,0,0|1,0,0]=3 3282 B11R2.76 CCCN1C2CCC1CC2 2230a_100000735658_100000210303 [0,1,0,1,0,0|1,0,1]=4 3283 B11R2.76 CCCN1C2CCC1CC2 269982a_100000735658_100000210303 [0,1,0,1,0,0|1,0,1]=4 3284 B11R2.76 CCCN1C2CCC1CC2 34a_100000735658_100000210303 [0,1,0,1,0,0|1,0,1]=4 3285 B11R2.76 COCN1C2CCC1CC2 2230a_100000735658_100000766300 [0,1,0,1,0,0|0,0,2]=4 3286 B11R2.76 COCN1C2CCC1CC2 269982a_100000735658_100000766300 [0,1,0,1,0,0|0,0,2]=4 3287 B11R2.76 CSCN1C2CCC1CC2 2230a_100000735658_100011218213 [0,1,0,1,0,0|0,1,1]=4 3288 B11R2.76 CSCN1C2CCC1CC2 269982a_100000735658_100011218213 [0,1,0,1,0,0|0,1,1]=4 3289 B11R2.76 CSCN1C2CCC1CC2 34a_100000735658_100011218213 [0,1,0,1,0,0|0,1,1]=4 3290 B11R2.76 FCCN1C2CCC1CC2 2230a_100000735658_100011217306 [0,1,0,1,0,0|1,0,1]=4 3291 B11R2.76 FCCN1C2CCC1CC2 269982a_100000735658_100011217306 [0,1,0,1,0,0|1,0,1]=4 3292 B11R2.76 FCCN1C2CCC1CC2 34a_100000735658_100011217306 [0,1,0,1,0,0|1,0,1]=4 3293 B11R2.76 N#CCN1C2CCC1CC2 2230a_100000735658_100011215382 [0,1,0,1,0,0|1,0,1]=4 3294 B11R2.76 N#CCN1C2CCC1CC2 269982a_100000735658_100011214920 [0,1,0,1,0,0|1,0,1]=4 3295 B11R2.76 O=CCN1C2CCC1CC2 2230a_100000735658_200015260668 [0,1,0,1,0,0|0,0,0]=2 3296 B11R2.76 O=CCN1C2CCC1CC2 269982a_100000735658_200015260668 [0,1,0,1,0,0|0,0,0]=2 3297 B11R2.76 O=CCN1C2CCC1CC2 34a_100000735658_200009817547 [0,1,0,1,0,0|0,0,0]=2 3298 B11R2.76 OCCN1C2CCC1CC2 2230a_100000735658_100000211926 [0,1,0,1,0,0|0,0,2]=4 3299 B11R2.76 OCCN1C2CCC1CC2 269982a_100000735658_100000211926 [0,1,0,1,0,0|0,0,2]=4 3300 B11R2.76 OCCN1C2CCC1CC2 34a_100000735658_100000211926 [0,1,0,1,0,0|0,0,2]=4 3301 B11R2.157 C=CCNC1CC2CC2C1 270004a_100020586998_100010340937 [0,1,0,1,0,0|1,0,0]=3 3302 B11R2.157 CCCNC1CC2CC2C1 270004a_100020643023_100010340937 [0,1,0,1,0,0|1,0,1]=4 3303 B11R2.157 OCCNC1CC2CC2C1 270004a_100000210304_100010340937 [0,1,0,1,0,0|0,0,2]=4 3304 B11R2.238 C1CCC(CC1)NC2CC2 34a_100000182618_100000211595 [0,1,0,1,0,0|1,0,1]=4 3305 B11R2.238 C1CCC(CC1)NC2CC2 34a_100000212008_100000210327 [0,1,0,1,0,0|1,0,1]=4 3306 B11R2.258 C=CCNC1C2C1COC2 2230a_100000702821_100000210623 [0,1,0,1,0,0|2,0,0]=4 3307 B11R2.258 C=CCNC1C2C1COC2 34a_100000702821_100015514636 [0,1,0,1,0,0|2,0,0]=4 3308 B11R2.258 O=CCNC1C2C1COC2 2230a_100000702821_200015260668 [0,1,0,1,0,0|1,0,0]=3 3309 B11R2.258 O=CCNC1C2C1COC2 34a_100000702821_200009817547 [0,1,0,1,0,0|1,0,0]=3 3310 B11R2.927 C=CCNC1CCC2C1C2 270004a_100020586998_100000692480 [0,1,0,1,0,0|1,0,0]=3 3311 B11R2.927 C=CCOC1CCC2C1C2 34a_200012295571_100015514636 [0,1,0,1,0,0|2,0,0]=4 3312 B11R2.927 CCCNC1CCC2C1C2 269862a_100020643023_100000692480 [0,1,0,1,0,0|1,0,1]=4 3313 B11R2.927 CCCNC1CCC2C1C2 270004a_100020643023_100000692480 [0,1,0,1,0,0|1,0,1]=4 3314 B11R2.927 FCCNC1CCC2C1C2 269862a_100000724931_100000692480 [0,1,0,1,0,0|1,0,1]=4 3315 B11R2.927 O=CCOC1CCC2C1C2 34a_200012295571_200009817547 [0,1,0,1,0,0|1,0,0]=3 3316 B11R2.927 OCCNC1CCC2C1C2 269862a_100000210304_100000692480 [0,1,0,1,0,0|0,0,2]=4 3317 B11R2.927 OCCNC1CCC2C1C2 270004a_100000210304_100000692480 [0,1,0,1,0,0|0,0,2]=4 3318 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [0,1,0,1,0,0|0,0,0]=2 3319 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [0,1,0,1,0,0|0,0,0]=2 3320 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [0,1,0,1,0,0|0,0,0]=2 3321 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [0,1,0,1,0,0|0,0,0]=2 3322 B11R2.824 CC(C)N1C2CCC1CC2 2230a_100000735658_100000210206 [0,1,0,1,0,0|1,0,1]=4 3323 B11R2.824 CC(C)N1C2CCC1CC2 269982a_100000735658_100000210206 [0,1,0,1,0,0|1,0,1]=4 3324 B11R2.824 CC(C)N1C2CCC1CC2 34a_100000735658_100000210206 [0,1,0,1,0,0|1,0,1]=4 3325 B11R2.860 CC(=O)NC1C2C1COC2 11a_100000702821_100015343762 [0,1,0,1,0,0|1,0,0]=3 3326 B11R2.860 CC(=O)NC1C2C1COC2 240690a_100000702821_100015343762 [0,1,0,1,0,0|1,0,0]=3 3327 B11R2.860 CC(=O)NC1C2C1COC2 527a_100000702821_100103153847 [0,1,0,1,0,0|1,0,0]=3 3328 B11R2.934 NC(=O)CN1CC2CC2C1 2230a_100000741873_100000747473 [0,1,0,1,0,0|2,0,0]=4 3329 B11R2.934 NC(=O)CN1CC2CC2C1 269982a_100000741873_100000187820 [0,1,0,1,0,0|2,0,0]=4 3330 B11R2.934 NC(=O)CN1CC2CC2C1 34a_100000741873_100000187820 [0,1,0,1,0,0|2,0,0]=4 3331 B11R2.934 O=C([O-])CN1CC2CC2C1 269982a_100000741873_100020667443 [0,1,0,1,0,0|2,0,0]=4 3332 B11R2.934 O=C([O-])CN1CC2CC2C1 34a_100000741873_100020667443 [0,1,0,1,0,0|2,0,0]=4 3333 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 3334 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 3335 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,0,1,0|0,0,1]=3 3336 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,0,1,0|0,0,1]=3 3337 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,0,1,0|0,0,1]=3 3338 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,0,1,0|0,0,1]=3 3339 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,0,1,0|0,0,1]=3 3340 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,0,1,0|0,0,1]=3 3341 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,0,0,0,1,0|1,0,1]=4 3342 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,0,0,0,1,0|1,0,1]=4 3343 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,0,0,0,1,0|1,0,1]=4 3344 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,0,0,0,1,0|1,0,1]=4 3345 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [1,0,0,0,1,0|1,0,1]=4 3346 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,0,0,0,1,0|1,0,1]=4 3347 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,0,0,0,1,0|1,0,1]=4 3348 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,0,0,0,1,0|1,0,1]=4 3349 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,0,1,0|1,0,1]=4 3350 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,0,1,0|1,0,1]=4 3351 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,0,1,0|1,0,1]=4 3352 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,0,1,0|1,0,1]=4 3353 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,0,1,0|1,0,1]=4 3354 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,0,1,0|0,0,1]=3 3355 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,0,1,0|0,0,1]=3 3356 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,0,0,0,1,0|1,0,1]=4 3357 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,0,0,0,1,0|1,0,1]=4 3358 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,0,0,0,1,0|1,0,1]=4 3359 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,0,1,0|1,0,1]=4 3360 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,0,1,0|1,0,1]=4 3361 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,0,1,0|1,0,1]=4 3362 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,0,1,0|1,0,1]=4 3363 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,0,0,2,0|1,0,1]=4 3364 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,0,0,2,0|1,0,1]=4 3365 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,0,0,2,0|1,0,1]=4 3366 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,0,0,0,2,0|1,0,1]=4 3367 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,0,2,0|2,0,0]=4 3368 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,0,0,0,0,2|1,0,1]=4 3369 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,0,0,0,0,2|1,0,1]=4 3370 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,0,0,0,0,2|1,0,1]=4 3371 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [0,0,0,0,0,2|1,0,1]=4 3372 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [0,0,0,0,0,2|2,0,0]=4 3373 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [0,0,0,0,0,2|2,0,0]=4 3374 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [0,0,0,0,0,2|2,0,0]=4