0 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.45 C#CCCNC/C=C\CC 34a_100000755551_100103147603 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.45 C#CCCOC/C=C\CC 34a_100011215631_100103147603 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.45 C#CCCOC/C=C\CC 34a_100016268518_100000688953 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.45 C#CCCSC/C=C\CC 62a_100000688953_100103147603 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.45 C#CCCSC/C=C\CC 62a_100103147603_100000688953 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.45 C#CCNCC/C=C\CC 34a_100000212058_100015370543 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [0,0,0,0,0,0|1,0,3]=4 20 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [0,0,0,0,0,0|1,0,3]=4 21 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.45 C#CCOCC/C=C\CC 34a_100000210247_100015370543 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.45 C#CCOCC/C=C\CC 34a_100016288707_100000184674 [0,0,0,0,0,0|2,0,1]=3 24 B9R0.45 C#CCOCC/C=C\CC 7a_100016288707_100000038162 [0,0,0,0,0,0|2,0,1]=3 25 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [0,0,0,0,0,0|1,0,3]=4 26 B9R0.45 C#CCSCC/C=C\CC 62a_100000038162_100015370543 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,0,0,0,0,0|1,0,2]=3 34 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,0,0,0,0,0|1,0,2]=3 35 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,0,0,0,0,0|1,0,2]=3 49 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,0,0,0,0,0|1,0,2]=3 56 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,0,0,0,0,0|1,0,2]=3 57 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [0,0,0,0,0,0|2,0,1]=3 74 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [0,0,0,0,0,0|2,0,1]=3 75 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [0,0,0,0,0,0|2,0,1]=3 76 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,0,0,0,0,0|1,0,3]=4 77 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,0,0,0,0,0|1,0,3]=4 78 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,0,0,0,0,0|1,0,3]=4 79 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,0,0,0,0,0|2,0,1]=3 82 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,0,0,0,0,0|1,0,3]=4 83 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [0,0,0,0,0,0|2,0,1]=3 84 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [0,0,0,0,0,0|2,0,1]=3 85 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,0,0,0,0,0|1,0,3]=4 86 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,0,0,0,0,0|1,0,3]=4 87 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [0,0,0,0,0,0|1,0,3]=4 88 B9R0.45 CC#CCNC/C=C\CC 2230a_100000685387_100103147603 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.45 CC#CCNC/C=C\CC 34a_100000685387_100103147603 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.45 CC#CCNCCCCO 2230a_100000685387_100000210776 [0,0,0,0,0,0|1,0,3]=4 91 B9R0.45 CC#CCNCCCCO 2230a_100000750430_100000748600 [0,0,0,0,0,0|1,0,3]=4 92 B9R0.45 CC#CCNCCCCO 34a_100000685387_100011216708 [0,0,0,0,0,0|1,0,3]=4 93 B9R0.45 CC#CCNCCCCO 34a_100000750430_100000748600 [0,0,0,0,0,0|1,0,3]=4 94 B9R0.45 CC#CCOC/C=C\CC 34a_100000761923_100103147603 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.45 CC#CCOC/C=C\CC 34a_100016268518_100000748600 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [0,0,0,0,0,0|1,0,3]=4 97 B9R0.45 CC#CCSC/C=C\CC 62a_100000748600_100103147603 [0,0,0,0,0,0|2,0,2]=4 98 B9R0.45 CC#CCSC/C=C\CC 62a_100103147603_100000748600 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [0,0,0,0,0,0|1,0,3]=4 100 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [0,0,0,0,0,0|1,0,3]=4 101 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,0,0,0,0,0|2,0,0]=2 102 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,0,0,0,0,0|2,0,0]=2 103 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [0,0,0,0,0,0|2,0,0]=2 104 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [0,0,0,0,0,0|2,0,0]=2 105 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,0,0,0,0,0|2,0,0]=2 106 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,0,0,0,0,0|2,0,0]=2 107 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,0,0,0,0,0|2,0,0]=2 108 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,0,0,0,0,0|2,0,0]=2 109 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [0,0,0,0,0,0|2,0,0]=2 110 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,0,0,0,0,0|1,0,0]=1 111 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,0,0,0,0,0|1,0,0]=1 112 B9R0.45 CC/C=C\CCOCC#N 7a_100016288707_100011215382 [0,0,0,0,0,0|2,0,1]=3 113 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,0,0,0,0,0|1,0,2]=3 114 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,0,0,0,0,0|1,0,2]=3 115 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [0,0,0,0,0,0|2,0,0]=2 116 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,0,0,0,0,0|2,0,0]=2 117 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,0,0,0,0,0|2,0,0]=2 118 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,0,0,0,0,0|2,0,0]=2 119 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [0,0,0,0,0,0|2,0,0]=2 120 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [0,0,0,0,0,0|2,0,0]=2 121 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [0,0,0,0,0,0|2,0,0]=2 122 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,0,0,0,0,0|1,0,0]=1 123 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,0,0,0,0,0|1,0,0]=1 124 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [0,0,0,0,0,0|3,0,0]=3 125 B9R0.45 CC/C=C\CCSCC#N 62a_100011215382_100015370543 [0,0,0,0,0,0|2,0,1]=3 126 B9R0.45 CC/C=C\CCSCC#N 62a_100015370543_100011215382 [0,0,0,0,0,0|2,0,1]=3 127 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,0,0,0,0,0|1,0,2]=3 128 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,0,0,0,0,0|1,0,2]=3 129 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,0,0,0,0,0|2,0,0]=2 130 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,0,0,0,0,0|2,0,0]=2 131 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [0,0,0,0,0,0|2,0,0]=2 132 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [0,0,0,0,0,0|2,0,0]=2 133 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,0,0,0,0,0|1,0,0]=1 134 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,0,0,0,0,0|1,0,0]=1 135 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [0,0,0,0,0,0|3,0,0]=3 136 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [0,0,0,0,0,0|3,0,0]=3 137 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [0,0,0,0,0,0|3,0,0]=3 138 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [0,0,0,0,0,0|3,0,0]=3 139 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,0,0,0,0,0|2,0,0]=2 140 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,0,0,0,0,0|2,0,0]=2 141 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [0,0,0,0,0,0|2,0,0]=2 142 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [0,0,0,0,0,0|2,0,0]=2 143 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [0,0,0,0,0,0|3,0,0]=3 144 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [0,0,0,0,0,0|3,0,0]=3 145 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [0,0,0,0,0,0|2,0,0]=2 146 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,0,0,0,0,0|2,0,0]=2 147 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,0,0,0,0,0|2,0,0]=2 148 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,0,0,0,0,0|2,0,0]=2 149 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [0,0,0,0,0,0|2,0,0]=2 150 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [0,0,0,0,0,0|2,0,0]=2 151 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [0,0,0,0,0,0|2,0,0]=2 152 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [0,0,0,0,0,0|2,0,0]=2 153 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,0,0,0,0,0|1,0,0]=1 154 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [0,0,0,0,0,0|3,0,0]=3 155 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [0,0,0,0,0,0|3,0,0]=3 156 B9R0.45 CC/C=C\COCCON 34a_100000700252_100103147603 [0,0,0,0,0,0|3,0,0]=3 157 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [0,0,0,0,0,0|3,0,0]=3 158 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [0,0,0,0,0,0|3,0,0]=3 159 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [0,0,0,0,0,0|3,0,0]=3 160 B9R0.45 CC/C=C\CSCCC#N 62a_100011215226_100103147603 [0,0,0,0,0,0|2,0,1]=3 161 B9R0.45 CC/C=C\CSCCC#N 62a_100103147603_100011215226 [0,0,0,0,0,0|2,0,1]=3 162 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,0,0,0,0,0|2,0,0]=2 163 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,0,0,0,0,0|2,0,0]=2 164 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,0,0,0,0,0|2,0,0]=2 165 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,0,0,0,0,0|2,0,0]=2 166 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,0,0,0,0,0|1,0,0]=1 167 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,0,0,0,0,0|1,0,0]=1 168 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,0,0,0,0,0|3,0,0]=3 170 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [0,0,0,0,0,0|3,0,0]=3 171 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [0,0,0,0,0,0|3,0,0]=3 172 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [0,0,0,0,0,0|3,0,0]=3 173 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [0,0,0,0,0,0|3,0,0]=3 174 B9R0.45 CC/C=C\CSCSC#N 62a_100000211825_100103147603 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.45 CC/C=C\CSCSC#N 62a_100103147603_100000211825 [0,0,0,0,0,0|3,0,1]=4 176 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [0,0,0,0,0,0|2,0,2]=4 177 B9R0.45 CC=C=CCCOCCF 34a_100011020354_100011217306 [0,0,0,0,0,0|2,0,2]=4 178 B9R0.45 CC=C=CCCOCCO 34a_100011020354_100000211926 [0,0,0,0,0,0|1,0,2]=3 179 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,0,0,0,0,0|2,0,2]=4 180 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [0,0,0,0,0,0|2,0,2]=4 181 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,0,0,0,0,0|1,0,2]=3 182 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,0,0,0,0,0|2,0,2]=4 183 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,0,0,0,0,0|1,0,2]=3 184 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,0,0,0,0,0|1,0,2]=3 185 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,0,0,0,0,0|2,0,2]=4 188 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,0,0,0,0,0|2,0,2]=4 189 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,0,0,0,0,0|2,0,2]=4 190 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,0,0,0,0,0|2,0,2]=4 191 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,0,0,0,0,0|2,0,2]=4 192 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,0,0,0,0,0|2,0,2]=4 193 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,0,0,0,0,0|2,0,2]=4 194 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,0,0,0,0,0|2,0,2]=4 195 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [0,0,0,0,0,0|2,0,2]=4 196 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [0,0,0,0,0,0|2,0,2]=4 197 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,0,0,0,0,0|2,0,2]=4 198 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,0,0,0,0,0|2,0,2]=4 199 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,0,0,0,0,0|2,0,2]=4 200 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,0,0,0,0,0|2,0,2]=4 201 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,0,0,0,0,0|1,0,2]=3 202 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,0,0,0,0,0|1,0,2]=3 203 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [0,0,0,0,0,0|2,0,2]=4 204 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [0,0,0,0,0,0|2,0,2]=4 205 B9R0.45 CCC#CCCOCCF 34a_100000036655_100011217306 [0,0,0,0,0,0|2,0,2]=4 206 B9R0.45 CCC#CCCOCCF 7a_100000036655_100011217306 [0,0,0,0,0,0|2,0,2]=4 207 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [0,0,0,0,0,0|1,0,2]=3 208 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [0,0,0,0,0,0|1,0,2]=3 209 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [0,0,0,0,0,0|2,0,2]=4 210 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [0,0,0,0,0,0|2,0,2]=4 211 B9R0.45 CCC#CCNCCCF 2230a_100015189416_100009813939 [0,0,0,0,0,0|2,0,2]=4 212 B9R0.45 CCC#CCNCCCF 34a_100015189416_100009813939 [0,0,0,0,0,0|2,0,2]=4 213 B9R0.45 CCC#CCOCCCBr 34a_100011217188_100009813939 [0,0,0,0,0,0|2,0,2]=4 214 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [0,0,0,0,0,0|2,0,2]=4 215 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [0,0,0,0,0,0|2,0,2]=4 216 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [0,0,0,0,0,0|2,0,2]=4 217 B9R0.45 CCC#CCOCCCCl 34a_100000230001_100009813939 [0,0,0,0,0,0|2,0,2]=4 218 B9R0.45 CCC#CCOCCCF 34a_100000032950_100011934791 [0,0,0,0,0,0|2,0,2]=4 219 B9R0.45 CCC#CCOCCCF 34a_100000759539_100009813939 [0,0,0,0,0,0|2,0,2]=4 220 B9R0.45 CCC#CCOCCCN 34a_100000182051_100009813939 [0,0,0,0,0,0|2,0,2]=4 221 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [0,0,0,0,0,0|1,0,2]=3 222 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [0,0,0,0,0,0|2,0,2]=4 223 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [0,0,0,0,0,0|2,0,2]=4 224 B9R0.45 CCC#CCSCCCF 62a_100009813939_100011934791 [0,0,0,0,0,0|2,0,2]=4 225 B9R0.45 CCC#CCSCCCF 62a_100011934791_100009813939 [0,0,0,0,0,0|2,0,2]=4 226 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [0,0,0,0,0,0|1,0,2]=3 227 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [0,0,0,0,0,0|1,0,2]=3 228 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,0,0,0,0,0|2,0,2]=4 229 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,0,0,0,0,0|2,0,2]=4 230 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,0,0,0,0,0|2,0,2]=4 231 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,0,0,0,0,0|2,0,2]=4 232 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,0,0,0,0,0|1,0,2]=3 233 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,0,0,0,0,0|1,0,2]=3 234 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [0,0,0,0,0,0|3,0,1]=4 235 B9R0.45 CCC=CC=NNCCO 4a_100000210001_100011216943 [0,0,0,0,0,0|2,0,1]=3 236 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,0,0,0,0,0|3,0,0]=3 237 B9R0.45 CCC=NNCCOCC 4a_100000732670_100000210100 [0,0,0,0,0,0|4,0,0]=4 238 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,0,0,0,0,0|1,0,3]=4 239 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,0,0,0,0,0|1,0,3]=4 240 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [0,0,0,0,0,0|3,0,1]=4 241 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,0,0,0,0,0|2,0,2]=4 242 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,0,0,0,0,0|2,0,2]=4 243 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,0,0,0,0,0|2,0,2]=4 244 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,0,0,0,0,0|2,0,2]=4 245 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,0,0,0,0,0|3,0,1]=4 246 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,0,0,0,0,0|2,0,2]=4 247 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,0,0,0,0,0|2,0,2]=4 248 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,0,0,0,0,0|2,0,2]=4 249 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,0,0,0,0,0|2,0,2]=4 250 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,0,0,0,0,0|2,0,2]=4 251 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,0,0,0,0,0|2,0,2]=4 252 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,0,0,0,0,0|2,0,2]=4 253 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,0,0,0,0,0|2,0,2]=4 254 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,0,0,0,0,0|2,0,2]=4 255 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,0,0,0,0,0|2,0,2]=4 256 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,0,0,0,0,0|2,0,2]=4 257 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,0,0,0,0,0|2,0,2]=4 258 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,0,0,0,0,0|2,0,2]=4 259 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,0,0,0,0,0|2,0,2]=4 260 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,0,0,0,0,0|2,0,2]=4 261 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,0,0,0,0,0|2,0,2]=4 262 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,0,0,0,0,0|2,0,1]=3 263 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,0,0,0,0,0|2,0,1]=3 264 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,0,0,0,0,0|2,0,1]=3 265 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,0,0,0,0,0|2,0,1]=3 266 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,0,0,0,0,0|2,0,1]=3 267 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,0,0,0,0,0|2,0,2]=4 268 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,0,0,0,0,0|2,0,2]=4 269 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,0,0,0,0,0|2,0,1]=3 270 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,0,0,0,0,0|2,0,1]=3 271 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,0,0,0,0,0|2,0,2]=4 272 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,0,0,0,0,0|2,0,2]=4 273 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,0,0,0,0,0|2,0,1]=3 274 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,0,0,0,0,0|2,0,2]=4 275 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,0,0,0,0,0|2,0,2]=4 276 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,0,0,0,0,0|1,0,2]=3 277 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,0,0,0,0,0|1,0,2]=3 278 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,0,0,0,0,0|1,0,2]=3 279 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,0,0,0,0,0|3,0,1]=4 280 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,0,0,0,0,0|3,0,1]=4 281 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,0,0,0,0,0|2,0,2]=4 282 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,0,0,0,0,0|2,0,1]=3 283 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,0,0,0,0,0|2,0,1]=3 284 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,0,0,0,0,0|2,0,1]=3 285 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,0,0,0,0,0|2,0,2]=4 286 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,0,0,0,0,0|2,0,2]=4 287 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,0,0,0,0,0|2,0,2]=4 288 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,0,0,0,0,0|1,0,2]=3 289 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,0,0,0,0,0|1,0,2]=3 290 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,0,0,0,0,0|3,0,1]=4 291 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,0,0,0,0,0|2,0,1]=3 292 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,0,0,0,0,0|2,0,1]=3 293 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,0,0,0,0,0|2,0,2]=4 294 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,0,0,0,0,0|2,0,2]=4 295 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,0,0,0,0,0|1,0,2]=3 296 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,0,0,0,0,0|1,0,2]=3 297 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,0,0,0,0,0|3,0,1]=4 298 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,0,0,0,0,0|3,0,1]=4 299 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,0,0,0,0,0|3,0,1]=4 300 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,0,0,0,0,0|3,0,1]=4 301 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,0,0,0,0,0|2,0,2]=4 302 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,0,0,0,0,0|2,0,2]=4 303 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,0,0,0,0,0|2,0,2]=4 304 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,0,0,0,0,0|2,0,2]=4 305 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,0,0,0,0,0|2,0,2]=4 306 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,0,0,0,0,0|2,0,2]=4 307 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,0,0,0,0,0|1,0,2]=3 308 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,0,0,0,0,0|2,0,2]=4 309 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,0,0,0,0,0|2,0,2]=4 310 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,0,0,0,0,0|2,0,2]=4 311 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,0,0,0,0,0|2,0,2]=4 312 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,0,0,0,0,0|2,0,2]=4 313 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,0,0,0,0,0|2,0,2]=4 314 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,0,0,0,0,0|2,0,2]=4 315 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,0,0,0,0,0|2,0,2]=4 316 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,0,0,0,0,0|2,0,2]=4 317 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,0,0,0,0,0|2,0,2]=4 318 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,0,0,0,0,0|1,0,2]=3 319 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,0,0,0,0,0|1,0,2]=3 320 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,0,0,0,0,0|2,0,2]=4 321 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,0,0,0,0,0|2,0,2]=4 322 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,0,0,0,0,0|2,0,2]=4 323 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,0,0,0,0,0|2,0,2]=4 324 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,0,0,0,0,0|1,0,2]=3 325 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,0,0,0,0,0|1,0,2]=3 326 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,0,0,0,0,0|3,0,1]=4 327 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,0,0,0,0,0|3,0,1]=4 328 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,0,0,0,0,0|2,0,2]=4 329 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,0,0,0,0,0|2,0,2]=4 330 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,0,0,0,0,0|1,0,2]=3 331 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,0,0,0,0,0|1,0,2]=3 332 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,0,0,0,0,0|1,0,2]=3 333 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,0,0,0,0,0|1,0,2]=3 334 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,0,0,0,0,0|3,0,1]=4 335 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,0,0,0,0,0|3,0,1]=4 336 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,0,0,0,0,0|3,0,1]=4 337 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,0,0,0,0,0|3,0,1]=4 338 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,0,0,0,0,0|3,0,1]=4 339 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,0,0,0,0,0|3,0,1]=4 340 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,0,0,0,0,0|3,0,1]=4 341 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,0,0,0,0,0|2,0,2]=4 342 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,0,0,0,0,0|2,0,2]=4 343 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,0,0,0,0,0|2,0,2]=4 344 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,0,0,0,0,0|2,0,2]=4 345 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,0,0,0,0,0|2,0,2]=4 346 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,0,0,0,0,0|2,0,2]=4 347 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,0,0,0,0,0|2,0,2]=4 348 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,0,0,0,0,0|2,0,2]=4 349 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,0,0,0,0,0|2,0,2]=4 350 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,0,0,0,0,0|1,0,2]=3 351 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,0,0,0,0,0|1,0,2]=3 352 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,0,0,0,0,0|3,0,1]=4 353 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,0,0,0,0,0|3,0,1]=4 354 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,0,0,0,0,0|3,0,1]=4 355 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,0,0,0,0,0|3,0,1]=4 356 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,0,0,0,0,0|3,0,1]=4 357 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,0,0,0,0,0|3,0,1]=4 358 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,0,0,0,0,0|3,0,1]=4 359 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,0,0,0,0,0|3,0,1]=4 360 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,0,0,0,0,0|3,0,1]=4 361 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,0,0,0,0,0|3,0,1]=4 362 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,0,0,0,0,0|3,0,1]=4 363 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,0,0,0,0,0|3,0,1]=4 364 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,0,0,0,0,0|3,0,1]=4 365 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,0,0,0,0,0|3,0,1]=4 366 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,0,0,0,0,0|2,0,2]=4 367 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,0,0,0,0,0|2,0,2]=4 368 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,0,0,0,0,0|3,0,1]=4 369 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,0,0,0,0,0|3,0,1]=4 370 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,0,0,0,0,0|3,0,1]=4 371 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,0,0,0,0,0|2,0,2]=4 372 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,0,0,0,0,0|2,0,2]=4 373 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,0,0,0,0,0|2,0,2]=4 374 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,0,0,0,0,0|2,0,2]=4 375 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,0,0,0,0,0|1,0,2]=3 376 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,0,0,0,0,0|1,0,2]=3 377 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,0,0,0,0,0|3,0,1]=4 378 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,0,0,0,0,0|3,0,1]=4 379 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,0,0,0,0,0|3,0,1]=4 380 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,0,0,0,0,0|3,0,1]=4 381 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,0,0,0,0,0|3,0,1]=4 382 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,0,0,0,0,0|3,0,1]=4 383 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,0,0,0,0,0|3,0,1]=4 384 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,0,0,0,0,0|1,0,1]=2 385 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,0,0,0,0,0|1,0,1]=2 386 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,0,0,0,0,0|3,0,1]=4 387 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,0,0,0,0,0|3,0,1]=4 388 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,0,0,0,0,0|3,0,1]=4 389 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,0,0,0,0,0|3,0,1]=4 390 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,0,0,0,0,0|2,0,1]=3 391 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,0,0,0,0,0|2,0,1]=3 392 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,0,0,0,0,0|3,0,1]=4 393 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,0,0,0,0,0|2,0,1]=3 394 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,0,0,0,0,0|2,0,1]=3 395 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,0,0,0,0,0|2,0,1]=3 396 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,0,0,0,0,0|2,0,1]=3 397 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,0,0,0,0,0|2,0,1]=3 398 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,0,0,0,0,0|2,0,1]=3 399 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,0,0,0,0,0|2,0,1]=3 400 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,0,0,0,0,0|2,0,1]=3 401 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,0,0,0,0,0|2,0,1]=3 402 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,0,0,0,0,0|1,0,1]=2 403 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,0,0,0,0,0|3,0,1]=4 404 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,0,0,0,0,0|3,0,1]=4 405 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,0,0,0,0,0|3,0,1]=4 406 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,0,0,0,0,0|3,0,1]=4 407 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,0,0,0,0,0|3,0,1]=4 408 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,0,0,0,0,0|3,0,1]=4 409 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,0,0,0,0,0|3,0,1]=4 410 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,0,0,0,0,0|3,0,1]=4 411 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,0,0,0,0,0|3,0,1]=4 412 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,0,0,0,0,0|3,0,1]=4 413 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,0,0,0,0,0|3,0,1]=4 414 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,0,0,0,0,0|3,0,1]=4 415 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,0,0,0,0,0|3,0,1]=4 416 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,0,0,0,0,0|3,0,1]=4 417 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,0,0,0,0,0|3,0,1]=4 418 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,0,0,0,0,0|2,0,1]=3 419 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,0,0,0,0,0|2,0,1]=3 420 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,0,0,0,0,0|2,0,1]=3 421 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,0,0,0,0,0|2,0,1]=3 422 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,0,0,0,0,0|3,0,1]=4 423 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,0,0,0,0,0|3,0,1]=4 424 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,0,0,0,0,0|3,0,1]=4 425 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,0,0,0,0,0|3,0,1]=4 426 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,0,0,0,0,0|3,0,1]=4 427 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,0,0,0,0,0|3,0,1]=4 428 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,0,0,0,0,0|3,0,1]=4 429 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,0,0,0,0,0|3,0,1]=4 430 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,0,0,0,0,0|3,0,1]=4 431 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,0,0,0,0,0|3,0,1]=4 432 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,0,0,0,0,0|3,0,1]=4 433 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,0,0,0,0,0|3,0,1]=4 434 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,0,0,0,0,0|3,0,1]=4 435 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,0,0,0,0,0|3,0,1]=4 436 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,0,0,0,0,0|3,0,1]=4 437 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,0,0,0,0,0|3,0,1]=4 438 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,0,0,0,0,0|2,0,1]=3 439 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,0,0,0,0,0|2,0,1]=3 440 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,0,0,0,0,0|2,0,1]=3 441 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,0,0,0,0,0|3,0,1]=4 442 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,0,0,0,0,0|3,0,1]=4 443 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,0,0,0,0,0|3,0,1]=4 444 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,0,0,0,0,0|3,0,1]=4 445 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,0,0,0,0,0|3,0,1]=4 446 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,0,0,0,0,0|3,0,1]=4 447 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,0,0,0,0,0|2,0,1]=3 448 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,0,0,0,0,0|2,0,1]=3 449 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,0,0,0,0,0|2,0,2]=4 450 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,0,0,0,0,0|2,0,2]=4 451 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,0,0,0,0,0|1,0,3]=4 452 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,0,0,0,0,0|1,0,3]=4 453 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,0,0,0,0,0|2,0,1]=3 454 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,0,0,0,0,0|2,0,1]=3 455 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,0,0,0,0,0|1,0,1]=2 456 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,0,0,0,0,0|1,0,1]=2 457 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,0,0,0,0,0|3,0,1]=4 458 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,0,0,0,0,0|3,0,1]=4 459 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,0,0,0,0,0|3,0,1]=4 460 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,0,0,0,0,0|3,0,1]=4 461 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,0,0,0,0,0|3,0,1]=4 462 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,0,0,0,0,0|2,0,1]=3 463 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,0,0,0,0,0|3,0,1]=4 464 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,0,0,0,0,0|3,0,1]=4 465 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,0,0,0,0,0|2,0,1]=3 466 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,0,0,0,0,0|2,0,1]=3 467 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,0,0,0,0,0|2,0,1]=3 468 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,0,0,0,0,0|2,0,1]=3 469 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,0,0,0,0,0|2,0,2]=4 470 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,0,0,0,0,0|1,0,3]=4 471 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,0,0,0,0,0|2,0,1]=3 472 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,0,0,0,0,0|1,0,1]=2 473 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,0,0,0,0,0|1,0,1]=2 474 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,0,0,0,0,0|1,0,1]=2 475 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,0,0,0,0,0|3,0,1]=4 476 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,0,0,0,0,0|3,0,1]=4 477 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [0,0,0,0,0,0|2,0,1]=3 478 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,0,0,0,0,0|2,0,1]=3 479 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,0,0,0,0,0|2,0,1]=3 480 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,0,0,0,0,0|2,0,1]=3 481 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,0,0,0,0,0|2,0,1]=3 482 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,0,0,0,0,0|2,0,1]=3 483 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,0,0,0,0,0|2,0,1]=3 484 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,0,0,0,0,0|2,0,1]=3 485 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,0,0,0,0,0|2,0,1]=3 486 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,0,0,0,0,0|1,0,1]=2 487 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,0,0,0,0,0|3,0,1]=4 488 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,0,0,0,0,0|3,0,1]=4 489 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,0,0,0,0,0|3,0,1]=4 490 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,0,0,0,0,0|3,0,1]=4 491 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,0,0,0,0,0|2,0,1]=3 492 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,0,0,0,0,0|2,0,1]=3 493 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,0,0,0,0,0|2,0,1]=3 494 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,0,0,0,0,0|2,0,1]=3 495 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,0,0,0,0,0|3,0,1]=4 496 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,0,0,0,0,0|3,0,1]=4 497 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,0,0,0,0,0|3,0,1]=4 498 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,0,0,0,0,0|3,0,1]=4 499 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,0,0,0,0,0|2,0,1]=3 500 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,0,0,0,0,0|2,0,1]=3 501 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,0,0,0,0,0|3,0,1]=4 502 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,0,0,0,0,0|3,0,1]=4 503 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,0,0,0,0,0|2,0,1]=3 504 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,0,0,0,0,0|2,0,1]=3 505 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,0,0,0,0,0|3,0,1]=4 506 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,0,0,0,0,0|3,0,1]=4 507 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,0,0,0,0,0|3,0,1]=4 508 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,0,0,0,0,0|3,0,1]=4 509 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,0,0,0,0,0|2,0,1]=3 510 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,0,0,0,0,0|2,0,1]=3 511 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,0,0,0,0,0|3,0,1]=4 512 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,0,0,0,0,0|3,0,1]=4 513 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,0,0,0,0,0|3,0,1]=4 514 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,0,0,0,0,0|3,0,1]=4 515 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,0,0,0,0,0|3,0,1]=4 516 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,0,0,0,0,0|3,0,1]=4 517 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,0,0,0,0,0|2,0,1]=3 518 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,0,0,0,0,0|2,0,1]=3 519 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,0,0,0,0,0|3,0,1]=4 520 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,0,0,0,0,0|3,0,1]=4 521 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,0,0,0,0,0|2,0,1]=3 522 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,0,0,0,0,0|2,0,1]=3 523 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [0,0,0,0,0,0|3,0,1]=4 524 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [0,0,0,0,0,0|3,0,1]=4 525 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,0,0,0,0,0|2,0,1]=3 526 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,0,0,0,0,0|2,0,1]=3 527 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,0,0,0,0,0|2,0,2]=4 528 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,0,0,0,0,0|2,0,2]=4 529 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,0,0,0,0,0|1,0,3]=4 530 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,0,0,0,0,0|1,0,3]=4 531 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,0,0,0,0,0|2,0,1]=3 532 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,0,0,0,0,0|2,0,1]=3 533 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,0,0,0,0,0|1,0,1]=2 534 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,0,0,0,0,0|1,0,1]=2 535 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,0,0,0,0,0|3,0,1]=4 536 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,0,0,0,0,0|3,0,1]=4 537 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,0,0,0,0,0|2,0,1]=3 538 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,0,0,0,0,0|2,0,1]=3 539 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [0,0,0,0,0,0|3,0,1]=4 540 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [0,0,0,0,0,0|3,0,1]=4 541 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [0,0,0,0,0,0|3,0,1]=4 542 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,0,0,0,0,0|2,0,1]=3 543 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,0,0,0,0,0|3,0,1]=4 544 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,0,0,0,0,0|3,0,1]=4 545 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,0,0,0,0,0|3,0,1]=4 546 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,0,0,0,0,0|3,0,1]=4 547 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,0,0,0,0,0|3,0,1]=4 548 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,0,0,0,0,0|3,0,1]=4 549 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,0,0,0,0,0|2,0,1]=3 550 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,0,0,0,0,0|2,0,1]=3 551 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [0,0,0,0,0,0|3,0,1]=4 552 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [0,0,0,0,0,0|3,0,1]=4 553 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,0,0,0,0,0|2,0,1]=3 554 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,0,0,0,0,0|2,0,1]=3 555 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,0,0,0,0,0|1,0,2]=3 556 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,0,0,0,0,0|1,0,2]=3 557 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,0,0,0,0,0|1,0,2]=3 558 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,0,0,0,0,0|1,0,2]=3 559 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,0,0,0,0,0|1,0,2]=3 560 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,0,0,0,0,0|2,0,2]=4 561 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,0,0,0,0,0|2,0,2]=4 562 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,0,0,0,0,0|2,0,2]=4 563 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,0,0,0,0,0|2,0,2]=4 564 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,0,0,0,0,0|2,0,2]=4 565 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,0,0,0,0,0|2,0,2]=4 566 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,0,0,0,0,0|1,0,2]=3 567 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,0,0,0,0,0|2,0,2]=4 568 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,0,0,0,0,0|2,0,2]=4 569 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,0,0,0,0,0|2,0,2]=4 570 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,0,0,0,0,0|2,0,2]=4 571 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,0,0,0,0,0|2,0,2]=4 572 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,0,0,0,0,0|2,0,2]=4 573 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,0,0,0,0,0|2,0,2]=4 574 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,0,0,0,0,0|2,0,2]=4 575 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,0,0,0,0,0|2,0,2]=4 576 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,0,0,0,0,0|2,0,2]=4 577 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,0,0,0,0,0|2,0,2]=4 578 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,0,0,0,0,0|2,0,2]=4 579 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,0,0,0,0,0|2,0,2]=4 580 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,0,0,0,0,0|2,0,2]=4 581 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,0,0,0,0,0|2,0,2]=4 582 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,0,0,0,0,0|2,0,1]=3 583 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [0,0,0,0,0,0|3,0,1]=4 584 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,0,0,0,0,0|3,0,1]=4 585 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,0,0,0,0,0|3,0,1]=4 586 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,0,0,0,0,0|3,0,1]=4 587 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,0,0,0,0,0|2,0,1]=3 588 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,0,0,0,0,0|2,0,1]=3 589 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,0,0,0,0,0|3,0,1]=4 590 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,0,0,0,0,0|3,0,1]=4 591 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,0,0,0,0,0|1,0,2]=3 592 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,0,0,0,0,0|1,0,2]=3 593 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,0,0,0,0,0|2,0,2]=4 594 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,0,0,0,0,0|2,0,2]=4 595 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,0,0,0,0,0|2,0,2]=4 596 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,0,0,0,0,0|2,0,2]=4 597 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,0,0,0,0,0|2,0,2]=4 598 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,0,0,0,0,0|2,0,2]=4 599 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,0,0,0,0,0|2,0,2]=4 600 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,0,0,0,0,0|2,0,2]=4 601 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,0,0,0,0,0|2,0,2]=4 602 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,0,0,0,0,0|2,0,2]=4 603 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,0,0,0,0,0|2,0,2]=4 604 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,0,0,0,0,0|2,0,2]=4 605 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,0,0,0,0,0|2,0,1]=3 606 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,0,0,0,0,0|2,0,1]=3 607 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [0,0,0,0,0,0|3,0,1]=4 608 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [0,0,0,0,0,0|3,0,1]=4 609 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,0,0,0,0,0|3,0,1]=4 610 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,0,0,0,0,0|3,0,1]=4 611 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,0,0,0,0,0|3,0,1]=4 612 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,0,0,0,0,0|3,0,1]=4 613 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,0,0,0,0,0|3,0,1]=4 614 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [0,0,0,0,0,0|3,0,1]=4 615 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [0,0,0,0,0,0|3,0,1]=4 616 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,0,0,0,0,0|2,0,1]=3 617 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,0,0,0,0,0|2,0,1]=3 618 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [0,0,0,0,0,0|3,0,1]=4 619 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [0,0,0,0,0,0|3,0,1]=4 620 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,0,0,0,0,0|3,0,1]=4 621 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,0,0,0,0,0|3,0,1]=4 622 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,0,0,0,0,0|3,0,1]=4 623 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,0,0,0,0,0|3,0,1]=4 624 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,0,0,0,0,0|3,0,1]=4 625 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,0,0,0,0,0|3,0,1]=4 626 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,0,0,0,0,0|3,0,1]=4 627 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,0,0,0,0,0|3,0,1]=4 628 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,0,0,0,0,0|3,0,1]=4 629 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,0,0,0,0,0|3,0,1]=4 630 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,0,0,0,0,0|3,0,1]=4 631 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,0,0,0,0,0|3,0,1]=4 632 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,0,0,0,0,0|3,0,1]=4 633 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,0,0,0,0,0|3,0,1]=4 634 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,0,0,0,0,0|3,0,1]=4 635 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,0,0,0,0,0|3,0,1]=4 636 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,0,0,0,0,0|3,0,1]=4 637 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,0,0,0,0,0|3,0,1]=4 638 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [0,0,0,0,0,0|2,0,2]=4 639 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [0,0,0,0,0,0|2,0,2]=4 640 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [0,0,0,0,0,0|2,0,2]=4 641 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,0,0,0,0,0|3,0,1]=4 642 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|3,0,1]=4 643 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,2]=4 644 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,2]=4 645 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,0,0,0,0,0|2,0,2]=4 646 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,0,0,0,0,0|3,0,1]=4 647 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,0,0,0,0,0|2,0,1]=3 648 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [0,0,0,0,0,0|3,0,1]=4 649 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [0,0,0,0,0,0|3,0,1]=4 650 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,0,0,0,0,0|2,0,2]=4 651 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,2]=4 652 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,0,0,0,0,0|2,0,2]=4 653 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,0,0,0,0,0|2,0,2]=4 654 B9R0.45 OCC#CCSCCCO 62a_100011215043_200000047223 [0,0,0,0,0,0|2,0,2]=4 655 B9R0.45 OCC#CCSCCCO 62a_200000047223_100011215043 [0,0,0,0,0,0|2,0,2]=4 656 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,0,0,0,0,0|2,0,1]=3 657 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,0,0,0,0,0|2,0,1]=3 658 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,0,0,0,0,0|2,0,1]=3 659 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,0,0,0,0,0|2,0,1]=3 660 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,0,0,0,0,0|2,0,1]=3 661 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|2,0,1]=3 662 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,0,0,0,0,0|2,0,1]=3 663 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,0,0,0,0,0|2,0,1]=3 664 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,1]=3 665 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,0,0,0,0,0|2,0,1]=3 666 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,0,0,0,0,0|2,0,1]=3 667 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,0,0,0,0,0|2,0,1]=3 668 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,0,0,0,0,0|2,0,1]=3 669 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,0,0,0,0,0|2,0,1]=3 670 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,0,0,0,0,0|2,0,1]=3 671 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,0,0,0,0,0|2,0,2]=4 672 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,0,0,0,0,0|2,0,2]=4 673 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|2,0,2]=4 674 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,0,0,0,0,0|2,0,2]=4 675 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,0,0,0,0,0|2,0,2]=4 676 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,2]=4 677 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,0,0,0,0,0|2,0,2]=4 678 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,0,0,0,0,0|2,0,2]=4 679 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,0,0,0,0,0|2,0,2]=4 680 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,0,0,0,0,0|2,0,2]=4 681 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,0,0,0,0,0|2,0,2]=4 682 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,0,0,0,0,0|2,0,2]=4 683 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,0,0,0,0,0|2,0,2]=4 684 B9R0.45 OCCCOCC#CCCl 34a_200000047223_100000230001 [0,0,0,0,0,0|2,0,2]=4 685 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,0,0,0,0,0|2,0,2]=4 686 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,0,0,0,0,0|2,0,2]=4 687 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,0,0,0,0,0|2,0,2]=4 688 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,0,0,0,0,0|2,0,2]=4 689 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,0,0,0,0,0|2,0,2]=4 690 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,0,0,0,0,0|2,0,2]=4 691 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,0,0,0,0,0|2,0,2]=4 692 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,0,0,0,0,0|2,0,2]=4 693 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,0,0,0,0,0|2,0,2]=4 694 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,0,0,0,0,0|2,0,2]=4 695 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [0,0,0,0,0,0|3,0,1]=4 696 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [0,0,0,0,0,0|3,0,1]=4 697 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [0,0,0,0,0,0|3,0,1]=4 698 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [0,0,0,0,0,0|3,0,1]=4 699 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,0,0,0,0,0|3,0,1]=4 700 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,0,0,0,0,0|2,0,2]=4 701 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,0,0,0,0,0|2,0,2]=4 702 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,0,0,0,0,0|2,0,2]=4 703 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,0,0,0,0,0|2,0,2]=4 704 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,0,0,0,0,0|2,0,2]=4 705 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,0,0,0,0,0|2,0,2]=4 706 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [0,0,0,0,0,0|3,0,1]=4 707 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [0,0,0,0,0,0|3,0,1]=4 708 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [0,0,0,0,0,0|3,0,1]=4 709 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [0,0,0,0,0,0|3,0,1]=4 710 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [0,0,0,0,0,0|3,0,1]=4 711 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [0,0,0,0,0,0|3,0,1]=4 712 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [0,0,0,0,0,0|3,0,1]=4 713 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [0,0,0,0,0,0|3,0,1]=4 714 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [0,0,0,0,0,0|3,0,1]=4 715 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [0,0,0,0,0,0|3,0,1]=4 716 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [0,0,0,0,0,0|3,0,1]=4 717 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [0,0,0,0,0,0|3,0,1]=4 718 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,0,0,0,0,0|3,0,1]=4 719 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,0,0,0,0,0|3,0,1]=4 720 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,0,0,0,0,0|3,0,1]=4 721 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,0,0,0,0,0|3,0,1]=4 722 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,0,0,0,0,0|2,0,2]=4 723 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,0,0,0,0,0|2,0,2]=4 724 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,0,0,0,0,0|3,0,1]=4 725 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,0,0,0,0,0|1,0,2]=3 726 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,0,0,0,0,0|1,0,2]=3 727 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,0,0,0,0,0|2,0,2]=4 728 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,0,0,0,0,0|2,0,2]=4 729 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,0,0,0,0,0|2,0,2]=4 730 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,0,0,0,0,0|2,0,2]=4 731 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,0,0,0,0,0|2,0,2]=4 732 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,0,0,0,0,0|1,0,2]=3 733 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,0,0,0,0,0|1,0,2]=3 734 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 735 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|2,0,1]=4 736 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 737 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 738 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|2,0,1]=4 739 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 740 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|2,0,1]=4 741 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|2,0,1]=4 742 B8R0.4 C#CCCNC/C=C/C 34a_100000755551_100102629194 [1,0,0,0,0,0|2,0,1]=4 743 B8R0.4 C#CCCNCC=CC 34a_100000755551_100000070051 [1,0,0,0,0,0|2,0,1]=4 744 B8R0.4 C#CCCOC/C=C/C 34a_100011215631_100102629194 [1,0,0,0,0,0|2,0,1]=4 745 B8R0.4 C#CCCOC/C=C/C 34a_100016270725_100000688953 [1,0,0,0,0,0|2,0,1]=4 746 B8R0.4 C#CCCOCC=CC 34a_100011215631_100000070051 [1,0,0,0,0,0|2,0,1]=4 747 B8R0.4 C#CCCSC/C=C/C 62a_100000688953_100102629194 [1,0,0,0,0,0|2,0,1]=4 748 B8R0.4 C#CCCSC/C=C/C 62a_100102629194_100000688953 [1,0,0,0,0,0|2,0,1]=4 749 B8R0.4 C#CCCSCC=CC 62a_100000070051_100000688953 [1,0,0,0,0,0|2,0,1]=4 750 B8R0.4 C#CCCSCC=CC 62a_100000688953_100000070051 [1,0,0,0,0,0|2,0,1]=4 751 B8R0.4 C#CCNC/C=C\CC 34a_100000212058_100103147603 [1,0,0,0,0,0|1,0,2]=4 752 B8R0.4 C#CCOC/C=C\CC 34a_100000210247_100103147603 [1,0,0,0,0,0|1,0,2]=4 753 B8R0.4 C#CCOC/C=C\CC 34a_100016268518_100000184674 [1,0,0,0,0,0|1,0,2]=4 754 B8R0.4 C#CCOCC/C=C/C 34a_100016278192_100000184674 [1,0,0,0,0,0|2,0,1]=4 755 B8R0.4 C#CCSC/C=C\CC 62a_100000038162_100103147603 [1,0,0,0,0,0|1,0,2]=4 756 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,0,0,0,0|1,0,2]=4 757 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,0,0,0,0,0|1,0,2]=4 758 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,0]=3 759 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,0,0,0,0,0|2,0,0]=3 760 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|1,0,0]=2 761 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,0,0,0,0,0|3,0,0]=4 762 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|2,0,0]=3 763 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,0,0,0,0,0|2,0,0]=3 764 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,0,0,0,0,0|2,0,0]=3 765 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|2,0,0]=3 766 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|2,0,0]=3 767 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|2,0,0]=3 768 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,0,0,0,0,0|2,0,0]=3 769 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,0,0,0,0,0|2,0,0]=3 770 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,0,0,0,0,0|2,0,0]=3 771 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,0,0,0,0,0|2,0,0]=3 772 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,0,0,0,0,0|1,0,0]=2 773 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,0,0,0,0,0|3,0,0]=4 774 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,0,0,0,0,0|3,0,0]=4 775 B8R0.4 C/C=C/COCCON 34a_100000700252_100102629194 [1,0,0,0,0,0|3,0,0]=4 776 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,0,0,0,0,0|3,0,0]=4 777 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,0,0,0,0,0|3,0,0]=4 778 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,0,0,0,0,0|3,0,0]=4 779 B8R0.4 C/C=C/CSCCC#N 62a_100011215226_100102629194 [1,0,0,0,0,0|2,0,1]=4 780 B8R0.4 C/C=C/CSCCC#N 62a_100102629194_100011215226 [1,0,0,0,0,0|2,0,1]=4 781 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|2,0,0]=3 782 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|2,0,0]=3 783 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,0,0,0,0,0|2,0,0]=3 784 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,0,0,0,0,0|2,0,0]=3 785 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,0,0,0,0,0|1,0,0]=2 786 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,0,0,0,0,0|1,0,0]=2 787 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,0,0,0,0,0|3,0,0]=4 788 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,0,0,0,0,0|3,0,0]=4 789 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,0,0,0,0,0|3,0,0]=4 790 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,0,0,0,0,0|3,0,0]=4 791 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,0,0,0,0,0|3,0,0]=4 792 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,0,0,0,0,0|3,0,0]=4 793 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|2,0,1]=4 794 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|2,0,1]=4 795 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|2,0,1]=4 796 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|2,0,1]=4 797 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|2,0,1]=4 798 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|2,0,1]=4 799 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|2,0,1]=4 800 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|2,0,1]=4 801 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 802 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|1,0,2]=4 803 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 804 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|1,0,2]=4 805 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 806 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 807 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|1,0,2]=4 808 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|1,0,2]=4 809 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [1,0,0,0,0,0|2,0,1]=4 810 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,0,0,0,0|1,0,2]=4 811 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [1,0,0,0,0,0|2,0,1]=4 812 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [1,0,0,0,0,0|2,0,1]=4 813 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [1,0,0,0,0,0|2,0,1]=4 814 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|1,0,2]=4 815 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [1,0,0,0,0,0|2,0,1]=4 816 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [1,0,0,0,0,0|2,0,1]=4 817 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [1,0,0,0,0,0|2,0,1]=4 818 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [1,0,0,0,0,0|2,0,1]=4 819 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,0,0,0,0,0|1,0,2]=4 820 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,0,0,0,0,0|1,0,2]=4 821 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [1,0,0,0,0,0|1,0,2]=4 822 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|1,0,2]=4 823 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|1,0,2]=4 824 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|1,0,2]=4 825 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [1,0,0,0,0,0|1,0,2]=4 826 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [1,0,0,0,0,0|1,0,2]=4 827 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [1,0,0,0,0,0|2,0,1]=4 828 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|1,0,2]=4 829 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [1,0,0,0,0,0|1,0,2]=4 830 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [1,0,0,0,0,0|1,0,2]=4 831 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|1,0,2]=4 832 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|1,0,2]=4 833 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [1,0,0,0,0,0|2,0,1]=4 834 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [1,0,0,0,0,0|2,0,1]=4 835 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [1,0,0,0,0,0|2,0,1]=4 836 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [1,0,0,0,0,0|2,0,1]=4 837 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [1,0,0,0,0,0|2,0,1]=4 838 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [1,0,0,0,0,0|1,0,2]=4 839 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [1,0,0,0,0,0|1,0,2]=4 840 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [1,0,0,0,0,0|1,0,2]=4 841 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [1,0,0,0,0,0|1,0,2]=4 842 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [1,0,0,0,0,0|1,0,2]=4 843 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [1,0,0,0,0,0|1,0,2]=4 844 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|1,0,0]=2 845 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|1,0,0]=2 846 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|1,0,0]=2 847 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|1,0,0]=2 848 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,0]=2 849 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|1,0,0]=2 850 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|1,0,0]=2 851 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|1,0,0]=2 852 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,0,0,0,0,0|2,0,0]=3 853 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,0,0,0,0,0|2,0,0]=3 854 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|1,0,0]=2 855 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|1,0,0]=2 856 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,0,0,0,0,0|2,0,0]=3 857 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,0,0,0,0,0|2,0,0]=3 858 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,0,0,0,0,0|2,0,0]=3 859 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|1,0,0]=2 860 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|1,0,0]=2 861 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,0,0,0,0,0|1,0,2]=4 862 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,0,0,0,0,0|2,0,0]=3 863 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|1,0,0]=2 864 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|1,0,0]=2 865 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,0,0,0,0,0|2,0,0]=3 866 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,0,0,0,0,0|2,0,0]=3 867 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|1,0,0]=2 868 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,0,0,0,0,0|2,0,0]=3 869 B8R0.4 CC/C=C\CSCC#N 62a_100011215382_100103147603 [1,0,0,0,0,0|2,0,1]=4 870 B8R0.4 CC/C=C\CSCC#N 62a_100103147603_100011215382 [1,0,0,0,0,0|2,0,1]=4 871 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,0,0,0,0,0|1,0,2]=4 872 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,0,0,0,0,0|1,0,2]=4 873 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|1,0,0]=2 874 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|1,0,0]=2 875 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,0,0,0,0,0|2,0,0]=3 876 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,0,0,0,0,0|2,0,0]=3 877 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|1,0,0]=2 878 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|1,0,0]=2 879 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,0,0,0,0,0|2,0,0]=3 880 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,0,0,0,0,0|2,0,0]=3 881 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,0,0,0,0,0|2,0,0]=3 882 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,0,0,0,0,0|2,0,0]=3 883 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,0,0,0,0,0|1,0,2]=4 884 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|2,0,0]=3 885 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,0,0,0,0,0|2,0,0]=3 886 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|2,0,0]=3 887 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|2,0,0]=3 888 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,0,0,0,0,0|2,0,0]=3 889 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,0,0,0,0,0|2,0,0]=3 890 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,0,0,0,0,0|3,0,0]=4 891 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,0,0,0,0,0|3,0,0]=4 892 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,0,0,0,0,0|2,0,0]=3 893 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|2,0,0]=3 894 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|2,0,0]=3 895 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,0,0,0,0,0|2,0,0]=3 896 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,0,0,0,0,0|2,0,0]=3 897 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,0,0,0,0,0|2,0,0]=3 898 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,0,0,0,0,0|3,0,0]=4 899 B8R0.4 CC=CCOCCON 34a_100000700252_100000070051 [1,0,0,0,0,0|3,0,0]=4 900 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,0,0,0,0,0|3,0,0]=4 901 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,0,0,0,0,0|3,0,0]=4 902 B8R0.4 CC=CCSCCC#N 62a_100000070051_100011215226 [1,0,0,0,0,0|2,0,1]=4 903 B8R0.4 CC=CCSCCC#N 62a_100011215226_100000070051 [1,0,0,0,0,0|2,0,1]=4 904 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|2,0,0]=3 905 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|2,0,0]=3 906 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,0,0,0,0,0|2,0,0]=3 907 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,0,0,0,0,0|2,0,0]=3 908 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,0,0,0,0,0|1,0,0]=2 909 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,0,0,0,0,0|1,0,0]=2 910 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,0,0,0,0,0|3,0,0]=4 911 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,0,0,0,0,0|3,0,0]=4 912 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,0,0,0,0,0|3,0,0]=4 913 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,0,0,0,0,0|3,0,0]=4 914 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,0,0,0,0,0|3,0,0]=4 915 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,0,0,0,0,0|3,0,0]=4 916 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|2,0,1]=4 917 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 918 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 919 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [1,0,0,0,0,0|1,0,2]=4 920 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [1,0,0,0,0,0|1,0,2]=4 921 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,0,0,0,0,0|1,0,2]=4 922 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,0,0,0,0,0|1,0,2]=4 923 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [1,0,0,0,0,0|1,0,2]=4 924 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,0,0,0,0,0|1,0,2]=4 925 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,0,0,0,0,0|1,0,2]=4 926 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [1,0,0,0,0,0|1,0,2]=4 927 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [1,0,0,0,0,0|1,0,2]=4 928 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 929 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 930 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,0,0,0,0,0|2,0,1]=4 931 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,0,0,0,0|2,0,0]=3 932 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,0,0,0,0,0|1,0,2]=4 933 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,0,0,0,0,0|1,0,2]=4 934 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,0,0,0,0,0|1,0,2]=4 935 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,0,0,0,0,0|1,0,2]=4 936 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,0,0,0,0,0|2,0,1]=4 937 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [1,0,0,0,0,0|2,0,1]=4 938 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,0,0,0,0,0|2,0,1]=4 939 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|1,0,2]=4 940 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|1,0,2]=4 941 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|1,0,2]=4 942 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|1,0,2]=4 943 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|1,0,2]=4 944 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,2]=4 945 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,2]=4 946 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,2]=4 947 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,2]=4 948 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,2]=4 949 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,2]=4 950 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,2]=4 951 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,2]=4 952 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,2]=4 953 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,1]=3 954 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,1]=3 955 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|1,0,1]=3 956 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|1,0,1]=3 957 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|1,0,1]=3 958 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,1]=4 959 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,1]=4 960 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|1,0,1]=3 961 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|1,0,1]=3 962 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,1]=4 963 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,1]=4 964 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|1,0,1]=3 965 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,1]=4 966 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,1]=4 967 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,1]=3 968 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,1]=3 969 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,1]=3 970 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|2,0,1]=4 971 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|2,0,1]=4 972 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,1]=4 973 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|1,0,1]=3 974 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|1,0,1]=3 975 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|1,0,1]=3 976 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,1]=4 977 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,1]=4 978 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,1]=4 979 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,1]=3 980 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,1]=3 981 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|2,0,1]=4 982 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|1,0,1]=3 983 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|1,0,1]=3 984 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,1]=4 985 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,1]=4 986 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,1]=3 987 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,1]=3 988 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|2,0,1]=4 989 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|2,0,1]=4 990 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|2,0,1]=4 991 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|2,0,1]=4 992 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|1,0,2]=4 993 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|1,0,2]=4 994 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,1]=4 995 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,1]=4 996 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,1]=4 997 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,1]=4 998 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|1,0,1]=3 999 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|1,0,1]=3 1000 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,1]=4 1001 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|1,0,2]=4 1002 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|1,0,2]=4 1003 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,1]=4 1004 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 1005 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,1]=4 1006 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 1007 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,1]=4 1008 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,1]=3 1009 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,1]=3 1010 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|2,0,1]=4 1011 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|2,0,1]=4 1012 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|2,0,1]=4 1013 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|2,0,1]=4 1014 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|1,0,2]=4 1015 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,1]=4 1016 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,1]=4 1017 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,0,1]=3 1018 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,0,1]=3 1019 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|2,0,1]=4 1020 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|2,0,1]=4 1021 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,1]=3 1022 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,1]=3 1023 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|2,0,1]=4 1024 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|2,0,1]=4 1025 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|2,0,1]=4 1026 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|2,0,1]=4 1027 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|2,0,1]=4 1028 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,1]=4 1029 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1030 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1031 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,1]=4 1032 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 1033 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 1034 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,1]=4 1035 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,1]=4 1036 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,1]=3 1037 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|2,0,1]=4 1038 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|2,0,1]=4 1039 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|2,0,1]=4 1040 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|2,0,1]=4 1041 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|2,0,1]=4 1042 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|2,0,1]=4 1043 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|2,0,1]=4 1044 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 1045 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 1046 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,1]=4 1047 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 1048 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 1049 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|2,0,1]=4 1050 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|2,0,1]=4 1051 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|2,0,1]=4 1052 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|2,0,1]=4 1053 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|2,0,1]=4 1054 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|2,0,1]=4 1055 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|2,0,1]=4 1056 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|2,0,1]=4 1057 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|2,0,1]=4 1058 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|2,0,1]=4 1059 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|2,0,1]=4 1060 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,1]=4 1061 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,1]=4 1062 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,1]=3 1063 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,1]=3 1064 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|2,0,1]=4 1065 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|2,0,1]=4 1066 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,0,1]=4 1067 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|2,0,1]=4 1068 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|2,0,1]=4 1069 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|2,0,1]=4 1070 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|2,0,1]=4 1071 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|2,0,1]=4 1072 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|2,0,1]=4 1073 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 1074 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,2]=4 1075 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,0]=3 1076 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,0]=2 1077 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,0]=2 1078 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,0]=2 1079 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,1]=4 1080 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|2,0,1]=4 1081 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|2,0,1]=4 1082 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|2,0,1]=4 1083 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1084 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|2,0,0]=3 1085 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1086 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|2,0,0]=3 1087 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1088 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1089 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1090 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1091 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,0]=3 1092 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1093 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1094 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1095 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,0]=2 1096 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|2,0,1]=4 1097 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|2,0,1]=4 1098 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1099 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1100 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|3,0,0]=4 1101 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|2,0,1]=4 1102 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|2,0,1]=4 1103 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|2,0,1]=4 1104 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1105 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1106 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|2,0,1]=4 1107 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|2,0,1]=4 1108 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|2,0,1]=4 1109 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|2,0,1]=4 1110 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|3,0,0]=4 1111 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|3,0,0]=4 1112 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1113 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|3,0,0]=4 1114 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1115 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|2,0,0]=3 1116 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 1117 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|2,0,0]=3 1118 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 1119 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|3,0,0]=4 1120 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1121 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1122 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1123 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1124 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1125 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1126 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1127 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1128 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1129 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1130 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|3,0,0]=4 1131 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1132 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1133 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,0]=3 1134 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1135 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|3,0,0]=4 1136 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|3,0,0]=4 1137 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,0,0]=3 1138 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,0,0]=3 1139 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|3,0,0]=4 1140 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|3,0,0]=4 1141 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,0]=3 1142 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,0]=3 1143 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 1144 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 1145 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,2]=4 1146 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,2]=4 1147 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,0]=3 1148 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,0]=3 1149 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,0]=2 1150 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,0]=2 1151 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|2,0,1]=4 1152 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|2,0,1]=4 1153 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 1154 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 1155 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|3,0,0]=4 1156 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|3,0,0]=4 1157 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|2,0,0]=3 1158 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|2,0,0]=3 1159 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|2,0,0]=3 1160 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|3,0,0]=4 1161 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1162 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1163 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|3,0,0]=4 1164 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 1165 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|2,0,0]=3 1166 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|2,0,0]=3 1167 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 1168 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|3,0,0]=4 1169 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|3,0,0]=4 1170 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|2,0,0]=3 1171 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|2,0,0]=3 1172 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1173 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,1]=4 1174 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1175 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 1176 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 1177 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 1178 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|1,0,1]=3 1179 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 1180 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,1]=4 1181 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1182 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1183 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1184 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1185 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1186 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,1]=4 1187 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1188 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1189 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|1,0,1]=3 1190 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|2,0,1]=4 1191 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|2,0,1]=4 1192 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|2,0,1]=4 1193 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,1]=4 1194 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,0,1]=4 1195 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,0,1]=4 1196 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,0,0,0,0|2,0,1]=4 1197 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,0,0,0,0,0|2,0,1]=4 1198 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,0,0,0,0,0|2,0,1]=4 1199 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,0,0,0,0,0|2,0,1]=4 1200 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|2,0,1]=4 1201 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,0,1]=4 1202 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,0,1]=4 1203 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,1]=4 1204 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,1]=4 1205 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|1,0,1]=3 1206 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|1,0,1]=3 1207 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|2,0,1]=4 1208 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,1]=4 1209 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,1]=4 1210 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,0,0,0,0|2,0,1]=4 1211 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,0,0,0,0,0|2,0,1]=4 1212 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,0,0,0,0,0|2,0,1]=4 1213 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,0,0,0,0,0|2,0,1]=4 1214 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,0,0,0,0,0|2,0,1]=4 1215 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|2,0,1]=4 1216 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|2,0,1]=4 1217 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,0,1]=4 1218 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,0,1]=4 1219 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,0,0,0,0,0|3,0,0]=4 1220 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,0,0,0,0,0|3,0,0]=4 1221 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 1222 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 1223 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1224 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1225 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 1226 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 1227 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 1228 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 1229 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|2,0,1]=4 1230 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|2,0,1]=4 1231 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,1]=4 1232 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,1]=4 1233 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,1]=4 1234 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,1]=4 1235 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 1236 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 1237 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,1]=4 1238 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,0]=3 1239 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|2,0,0]=3 1240 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|2,0,0]=3 1241 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|2,0,1]=4 1242 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|2,0,1]=4 1243 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,1]=4 1244 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 1245 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|2,0,1]=4 1246 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 1247 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|2,0,1]=4 1248 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|2,0,1]=4 1249 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|2,0,1]=4 1250 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|2,0,1]=4 1251 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 1252 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|2,0,1]=4 1253 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|2,0,1]=4 1254 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|2,0,1]=4 1255 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|2,0,1]=4 1256 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|2,0,1]=4 1257 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|2,0,1]=4 1258 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|2,0,1]=4 1259 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|2,0,1]=4 1260 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,0,1]=4 1261 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|2,0,1]=4 1262 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|2,0,1]=4 1263 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|2,0,1]=4 1264 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 1265 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 1266 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|2,0,1]=4 1267 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|2,0,1]=4 1268 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|2,0,1]=4 1269 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [1,0,0,0,0,0|3,0,0]=4 1270 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [1,0,0,0,0,0|3,0,0]=4 1271 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [1,0,0,0,0,0|3,0,0]=4 1272 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|2,0,1]=4 1273 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|2,0,1]=4 1274 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 1275 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 1276 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1277 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1278 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1279 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1280 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1281 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1282 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1283 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,1]=4 1284 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,1]=4 1285 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|1,0,1]=3 1286 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|1,0,1]=3 1287 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [0,1,0,0,0,0|1,0,2]=4 1288 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,1,0,0,0,0|0,0,3]=4 1289 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,1,0,0,0,0|0,0,3]=4 1290 B10R0.1 C#CCC(C)OC/C=C\CC 34a_100000685586_100103147603 [0,1,0,0,0,0|2,0,1]=4 1291 B10R0.1 C#CCC(C)OC/C=C\CC 7a_100000685586_100103147603 [0,1,0,0,0,0|2,0,1]=4 1292 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,1,0,0,0,0|1,0,2]=4 1293 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,1,0,0,0,0|1,0,2]=4 1294 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,1,0,0,0,0|1,0,2]=4 1295 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,1,0,0,0,0|2,0,1]=4 1296 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,1,0,0,0,0|2,0,1]=4 1297 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,1,0,0,0,0|2,0,1]=4 1298 B10R0.1 C#CCN(C)CC/C=C\CC 2230a_100000225692_100015370543 [0,1,0,0,0,0|2,0,1]=4 1299 B10R0.1 C#CCN(C)CC/C=C\CC 34a_100000225692_100015370543 [0,1,0,0,0,0|2,0,1]=4 1300 B10R0.1 C/C=C/C(C)OCCCCO 34a_200102604097_100011216708 [0,1,0,0,0,0|1,0,2]=4 1301 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [0,1,0,0,0,0|1,0,2]=4 1302 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [0,1,0,0,0,0|1,0,2]=4 1303 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,1,0,0,0,0|0,0,3]=4 1304 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,1,0,0,0,0|0,0,3]=4 1305 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,1,0,0,0,0|1,0,2]=4 1306 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,0,0,0,0|1,0,2]=4 1307 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,0,0,0,0|1,0,2]=4 1308 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,1,0,0,0,0|2,0,1]=4 1309 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,1,0,0,0,0|2,0,1]=4 1310 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,1,0,0,0,0|2,0,1]=4 1311 B10R0.1 C=CCN(C)CC/C=C\CC 2230a_100000225617_100015370543 [0,1,0,0,0,0|2,0,1]=4 1312 B10R0.1 C=CCN(C)CC/C=C\CC 269982a_100000225617_100015370543 [0,1,0,0,0,0|2,0,1]=4 1313 B10R0.1 C=CC[C@@H](C)OC/C=C\CC 34a_100000731007_100103147603 [0,1,0,0,0,0|2,0,1]=4 1314 B10R0.1 C=CC[C@@H](C)OC/C=C\CC 7a_100000731007_100103147603 [0,1,0,0,0,0|2,0,1]=4 1315 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,1,0,0,0,0|1,0,2]=4 1316 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,1,0,0,0,0|1,0,2]=4 1317 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,1,0,0,0,0|0,0,2]=3 1318 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [0,1,0,0,0,0|1,0,2]=4 1319 B10R0.1 CC/C=C(\C)/C=NNCCO 4a_100000210001_100020678925 [0,1,0,0,0,0|2,0,1]=4 1320 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [0,1,0,0,0,0|1,0,2]=4 1321 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,1,0,0,0,0|1,0,1]=3 1322 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,1,0,0,0,0|0,0,1]=2 1323 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,1,0,0,0,0|2,0,1]=4 1324 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,1,0,0,0,0|2,0,1]=4 1325 B10R0.1 CC/C=C\CCN(C)CC#N 2230a_100000748184_100015370543 [0,1,0,0,0,0|2,0,1]=4 1326 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [0,1,0,0,0,0|2,0,0]=3 1327 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [0,1,0,0,0,0|2,0,0]=3 1328 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [0,1,0,0,0,0|1,0,0]=2 1329 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [0,1,0,0,0,0|1,0,0]=2 1330 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [0,1,0,0,0,0|2,0,0]=3 1331 B10R0.1 CC/C=C\CN[C@@H](C)CC#N 2230a_100016994482_100103147603 [0,1,0,0,0,0|2,0,1]=4 1332 B10R0.1 CC/C=C\CN[C@H](C)CCO 2230a_100000706166_100103147603 [0,1,0,0,0,0|1,0,0]=2 1333 B10R0.1 CC/C=C\CN[C@H](C)CCO 34a_100000706166_100103147603 [0,1,0,0,0,0|1,0,0]=2 1334 B10R0.1 CC/C=C\CN[C@H](C)COC 2230a_100000764878_100103147603 [0,1,0,0,0,0|3,0,0]=4 1335 B10R0.1 CC/C=C\COC(C)CCBr 34a_100012276601_100103147603 [0,1,0,0,0,0|2,0,0]=3 1336 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [0,1,0,0,0,0|2,0,0]=3 1337 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [0,1,0,0,0,0|2,0,0]=3 1338 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [0,1,0,0,0,0|2,0,0]=3 1339 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [0,1,0,0,0,0|1,0,0]=2 1340 B10R0.1 CC/C=C\COC(C)COC 34a_100016268518_100000765312 [0,1,0,0,0,0|3,0,0]=4 1341 B10R0.1 CC/C=C\CO[C@H](C)COC 34a_100011934205_100103147603 [0,1,0,0,0,0|3,0,0]=4 1342 B10R0.1 CC/C=C\CSC(C)CC#N 62a_100009813641_100103147603 [0,1,0,0,0,0|2,0,1]=4 1343 B10R0.1 CC/C=C\CSC(C)CC#N 62a_100103147603_100009813641 [0,1,0,0,0,0|2,0,1]=4 1344 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [0,1,0,0,0,0|2,0,0]=3 1345 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [0,1,0,0,0,0|2,0,0]=3 1346 B10R0.1 CC/C=C\CSC(C)CCO 62a_100009893172_100103147603 [0,1,0,0,0,0|1,0,0]=2 1347 B10R0.1 CC/C=C\CSC(C)CCO 62a_100103147603_100009893172 [0,1,0,0,0,0|1,0,0]=2 1348 B10R0.1 CC/C=C\CSC(C)COC 62a_100000765312_100103147603 [0,1,0,0,0,0|3,0,0]=4 1349 B10R0.1 CC/C=C\CSC(C)COC 62a_100103147603_100000765312 [0,1,0,0,0,0|3,0,0]=4 1350 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,1,0,0,0,0|1,0,2]=4 1351 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,1,0,0,0,0|1,0,1]=3 1352 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,1,0,0,0,0|1,0,1]=3 1353 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,1,0,0,0,0|0,0,1]=2 1354 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,1,0,0,0,0|2,0,1]=4 1355 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,1,0,0,0,0|2,0,1]=4 1356 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,1,0,0,0,0|2,0,1]=4 1357 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,1,0,0,0,0|1,0,1]=3 1358 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,1,0,0,0,0|2,0,1]=4 1359 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,1,0,0,0,0|2,0,1]=4 1360 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,1,0,0,0,0|2,0,1]=4 1361 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,1,0,0,0,0|2,0,1]=4 1362 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,1,0,0,0,0|1,0,1]=3 1363 B10R0.1 CCC#CCN[C@H](C)CCO 2230a_100000706166_100009813939 [0,1,0,0,0,0|1,0,2]=4 1364 B10R0.1 CCC#CCN[C@H](C)CCO 34a_100000706166_100009813939 [0,1,0,0,0,0|1,0,2]=4 1365 B10R0.1 CCC#CCOC(C)CCO 34a_100000032950_100009893172 [0,1,0,0,0,0|1,0,2]=4 1366 B10R0.1 CCC#CCSC(C)CCO 62a_100009813939_100009893172 [0,1,0,0,0,0|1,0,2]=4 1367 B10R0.1 CCC#CCSC(C)CCO 62a_100009893172_100009813939 [0,1,0,0,0,0|1,0,2]=4 1368 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,1,0,0,0,0|0,0,3]=4 1369 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,1,0,0,0,0|1,0,2]=4 1370 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|1,0,1]=3 1371 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|0,0,1]=2 1372 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|0,0,1]=2 1373 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|2,0,1]=4 1374 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,0,0,0,0|2,0,1]=4 1375 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,0,0,0,0|1,0,1]=3 1376 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,0,0,0,0|1,0,1]=3 1377 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,1,0,0,0,0|2,0,1]=4 1378 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,1,0,0,0,0|2,0,1]=4 1379 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,1,0,0,0,0|2,0,1]=4 1380 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,0,0,0,0|1,0,1]=3 1381 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,0,0,0,0|1,0,1]=3 1382 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,0,0,0,0|1,0,1]=3 1383 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,0,0,0,0|1,0,1]=3 1384 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,1,0,0,0,0|2,0,1]=4 1385 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,1,0,0,0,0|2,0,1]=4 1386 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,1,0,0,0,0|2,0,1]=4 1387 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 1388 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 1389 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,1,0,0,0,0|1,0,2]=4 1390 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,1,0,0,0,0|1,0,2]=4 1391 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,1,0,0,0,0|1,0,2]=4 1392 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,1,0,0,0,0|1,0,2]=4 1393 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,1,0,0,0,0|1,0,2]=4 1394 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,1,0,0,0,0|1,0,2]=4 1395 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,1,0,0,0,0|1,0,2]=4 1396 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,1,0,0,0,0|1,0,2]=4 1397 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,1,0,0,0,0|1,0,2]=4 1398 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,1,0,0,0,0|1,0,2]=4 1399 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,1,0,0,0,0|1,0,2]=4 1400 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,1,0,0,0,0|1,0,2]=4 1401 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,1,0,0,0,0|1,0,2]=4 1402 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,1,0,0,0,0|1,0,2]=4 1403 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,1,0,0,0,0|1,0,2]=4 1404 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,1,0,0,0,0|2,0,1]=4 1405 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,1,0,0,0,0|2,0,1]=4 1406 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,1,0,0,0,0|2,0,1]=4 1407 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,1]=3 1408 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,1]=3 1409 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,0,0,0,0|2,0,1]=4 1410 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|0,0,3]=4 1411 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|0,0,3]=4 1412 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,0,0,0,0|2,0,1]=4 1413 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,0,0,0,0|2,0,1]=4 1414 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|2,0,0]=3 1415 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|2,0,0]=3 1416 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|2,0,0]=3 1417 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,1,0,0,0,0|3,0,0]=4 1418 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,1,0,0,0,0|2,0,1]=4 1419 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,1,0,0,0,0|2,0,1]=4 1420 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,1,0,0,0,0|2,0,1]=4 1421 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,1,0,0,0,0|2,0,1]=4 1422 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,1,0,0,0,0|2,0,1]=4 1423 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,1,0,0,0,0|2,0,1]=4 1424 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,1,0,0,0,0|2,0,1]=4 1425 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,1,0,0,0,0|2,0,1]=4 1426 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,1,0,0,0,0|2,0,1]=4 1427 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,1,0,0,0,0|2,0,1]=4 1428 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,1,0,0,0,0|2,0,1]=4 1429 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,1,0,0,0,0|2,0,1]=4 1430 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,1,0,0,0,0|2,0,1]=4 1431 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,1,0,0,0,0|1,0,2]=4 1432 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,1,0,0,0,0|1,0,2]=4 1433 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,1,0,0,0,0|1,0,2]=4 1434 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,1,0,0,0,0|1,0,2]=4 1435 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,0,0,0,0|2,0,1]=4 1436 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,0,0,0,0|2,0,1]=4 1437 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,0,0,0,0|2,0,1]=4 1438 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,0,0,0,0|2,0,1]=4 1439 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,0,0,0,0|3,0,0]=4 1440 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,0,0,0,0|3,0,0]=4 1441 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,0,0,0,0|3,0,0]=4 1442 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,0,0,0,0|3,0,0]=4 1443 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,0,0,0,0|3,0,0]=4 1444 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,0,0,0,0|3,0,0]=4 1445 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,1,0,0,0,0|1,0,2]=4 1446 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,1,0,0,0,0|1,0,2]=4 1447 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,1,0,0,0,0|1,0,2]=4 1448 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,1,0,0,0,0|1,0,2]=4 1449 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,1,0,0,0,0|1,0,2]=4 1450 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,1,0,0,0,0|1,0,2]=4 1451 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,1,0,0,0,0|1,0,2]=4 1452 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,0,0,0,0|2,0,1]=4 1453 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,0,0,0,0|2,0,1]=4 1454 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,1,0,0,0,0|3,0,0]=4 1455 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,1,0,0,0,0|3,0,0]=4 1456 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,1,0,0,0,0|3,0,0]=4 1457 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,1,0,0,0,0|3,0,0]=4 1458 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,0,0,0,0|2,0,1]=4 1460 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,0,0,0,0|2,0,1]=4 1461 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,0,0,0,0|2,0,1]=4 1462 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,1,0,0,0,0|3,0,0]=4 1463 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,1,0,0,0,0|3,0,0]=4 1464 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,1,0,0,0,0|3,0,0]=4 1465 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,1,0,0,0,0|3,0,0]=4 1466 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,1,0,0,0,0|3,0,0]=4 1467 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,1,0,0,0,0|3,0,0]=4 1468 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,1,0,0,0,0|3,0,0]=4 1469 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,0,0,0,0|2,0,1]=4 1470 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,0,0,0,0|2,0,1]=4 1471 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,0,0,0,0|2,0,1]=4 1472 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,1,0,0,0,0|3,0,0]=4 1473 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,1,0,0,0,0|3,0,0]=4 1474 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,1,0,0,0,0|3,0,0]=4 1475 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,1,0,0,0,0|3,0,0]=4 1476 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,1,0,0,0,0|3,0,0]=4 1477 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,1,0,0,0,0|3,0,0]=4 1478 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,1,0,0,0,0|3,0,0]=4 1479 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,1,0,0,0,0|2,0,1]=4 1480 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,1,0,0,0,0|2,0,1]=4 1481 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,1,0,0,0,0|1,0,1]=3 1482 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,1,0,0,0,0|1,0,1]=3 1483 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,1,0,0,0,0|1,0,1]=3 1484 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,1,0,0,0,0|1,0,1]=3 1485 B10R0.1 CCCN(C)CCOCCO 2230a_100000228057_100000210303 [0,1,0,0,0,0|2,0,1]=4 1486 B10R0.1 CCCN(C)CCOCCO 2230a_100000747261_100011215305 [0,1,0,0,0,0|2,0,1]=4 1487 B10R0.1 CCCN(C)CCOCCO 269982a_100000228057_100000210303 [0,1,0,0,0,0|2,0,1]=4 1488 B10R0.1 CCCN(C)CCOCCO 269982a_100000747261_100011215305 [0,1,0,0,0,0|2,0,1]=4 1489 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,1,0,0,0,0|3,0,0]=4 1490 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|2,0,1]=4 1491 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,0,0,0,0|1,0,2]=4 1492 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,1,0,0,0,0|3,0,0]=4 1493 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 1494 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 1495 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,1,0,0,0,0|2,0,1]=4 1496 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,1,0,0,0,0|2,0,1]=4 1497 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|2,0,1]=4 1498 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,1,0,0,0,0|3,0,0]=4 1499 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,1,0,0,0,0|3,0,0]=4 1500 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,1,0,0,0,0|3,0,0]=4 1501 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,1,0,0,0,0|3,0,0]=4 1502 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,1,0,0,0,0|1,0,2]=4 1503 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,1,0,0,0,0|1,0,2]=4 1504 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,0,0,0,0|1,0,0]=2 1505 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,1,0,0,0,0|3,0,0]=4 1506 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,1,0,0,0,0|2,0,0]=3 1507 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,1,0,0,0,0|2,0,0]=3 1508 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,1,0,0,0,0|2,0,0]=3 1509 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,1,0,0,0,0|3,0,0]=4 1510 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,1,0,0,0,0|3,0,0]=4 1511 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,1,0,0,0,0|2,0,0]=3 1512 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,1,0,0,0,0|2,0,0]=3 1513 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,1,0,0,0,0|3,0,0]=4 1514 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,1,0,0,0,0|3,0,0]=4 1515 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,1,0,0,0,0|3,0,0]=4 1516 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,1,0,0,0,0|2,0,0]=3 1517 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,1,0,0,0,0|3,0,0]=4 1518 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,1,0,0,0,0|3,0,0]=4 1519 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,1,0,0,0,0|3,0,0]=4 1520 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,1,0,0,0,0|3,0,0]=4 1521 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,1,0,0,0,0|3,0,0]=4 1522 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,1,0,0,0,0|3,0,0]=4 1523 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,1,0,0,0,0|2,0,0]=3 1524 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,1,0,0,0,0|2,0,0]=3 1525 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 1526 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 1527 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 1528 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 1529 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 1530 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 1531 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,1,0,0,0,0|3,0,0]=4 1532 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,1,0,0,0,0|3,0,0]=4 1533 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,1,0,0,0,0|3,0,0]=4 1534 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,1,0,0,0,0|3,0,0]=4 1535 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,1,0,0,0,0|3,0,0]=4 1536 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,1,0,0,0,0|3,0,0]=4 1537 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,1,0,0,0,0|3,0,0]=4 1538 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,1,0,0,0,0|3,0,0]=4 1539 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,1,0,0,0,0|3,0,0]=4 1540 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,1,0,0,0,0|3,0,0]=4 1541 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,1,0,0,0,0|3,0,0]=4 1542 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,1,0,0,0,0|3,0,0]=4 1543 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,1,0,0,0,0|3,0,0]=4 1544 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,1,0,0,0,0|3,0,0]=4 1545 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,1,0,0,0,0|3,0,0]=4 1546 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,1,0,0,0,0|2,0,0]=3 1547 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,1,0,0,0,0|2,0,0]=3 1548 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,1,0,0,0,0|3,0,0]=4 1549 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,1,0,0,0,0|3,0,0]=4 1550 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,1,0,0,0,0|3,0,0]=4 1551 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,1,0,0,0,0|3,0,0]=4 1552 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,1,0,0,0,0|2,0,0]=3 1553 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,1,0,0,0,0|2,0,0]=3 1554 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,1,0,0,0,0|3,0,0]=4 1555 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,1,0,0,0,0|3,0,0]=4 1556 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,1,0,0,0,0|3,0,0]=4 1557 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,1,0,0,0,0|3,0,0]=4 1558 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,1,0,0,0,0|3,0,0]=4 1559 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,1,0,0,0,0|3,0,0]=4 1560 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,1,0,0,0,0|3,0,0]=4 1561 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,1,0,0,0,0|3,0,0]=4 1562 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,1,0,0,0,0|2,0,0]=3 1563 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,1,0,0,0,0|2,0,0]=3 1564 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,1,0,0,0,0|3,0,0]=4 1565 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,1,0,0,0,0|1,0,2]=4 1566 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,1,0,0,0,0|3,0,0]=4 1567 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,1,0,0,0,0|3,0,0]=4 1568 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,1,0,0,0,0|2,0,1]=4 1569 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,1,0,0,0,0|2,0,1]=4 1570 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [0,1,0,0,0,0|2,0,1]=4 1571 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [0,1,0,0,0,0|2,0,1]=4 1572 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [0,1,0,0,0,0|2,0,1]=4 1573 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [0,1,0,0,0,0|2,0,1]=4 1574 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,1,0,0,0,0|2,0,1]=4 1575 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,1,0,0,0,0|2,0,1]=4 1576 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [0,1,0,0,0,0|2,0,1]=4 1577 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [0,1,0,0,0,0|2,0,1]=4 1578 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [0,1,0,0,0,0|2,0,1]=4 1579 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [0,1,0,0,0,0|2,0,1]=4 1580 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [0,1,0,0,0,0|2,0,1]=4 1581 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,1,0,0,0,0|2,0,1]=4 1582 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,1,0,0,0,0|2,0,1]=4 1583 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [0,1,0,0,0,0|2,0,1]=4 1584 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [0,1,0,0,0,0|2,0,1]=4 1585 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [0,1,0,0,0,0|2,0,1]=4 1586 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [0,1,0,0,0,0|2,0,1]=4 1587 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,1,0,0,0,0|2,0,1]=4 1588 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,1,0,0,0,0|2,0,1]=4 1589 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,1,0,0,0,0|2,0,1]=4 1590 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,1,0,0,0,0|2,0,1]=4 1591 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,1,0,0,0,0|2,0,0]=3 1592 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [0,1,0,0,0,0|3,0,0]=4 1593 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,1,0,0,0,0|3,0,0]=4 1594 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,1,0,0,0,0|3,0,0]=4 1595 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,1,0,0,0,0|3,0,0]=4 1596 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,1,0,0,0,0|2,0,1]=4 1597 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,1,0,0,0,0|1,0,1]=3 1598 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,1,0,0,0,0|2,0,1]=4 1599 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,1,0,0,0,0|2,0,1]=4 1600 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,1,0,0,0,0|2,0,1]=4 1601 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,1,0,0,0,0|2,0,1]=4 1602 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,1,0,0,0,0|2,0,1]=4 1603 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,1,0,0,0,0|2,0,1]=4 1604 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,1,0,0,0,0|1,0,1]=3 1605 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,1,0,0,0,0|2,0,1]=4 1606 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,1,0,0,0,0|2,0,1]=4 1607 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,1,0,0,0,0|2,0,1]=4 1608 B10R0.1 CSCN(C)CCCCCO 2230a_100000722520_100011218213 [0,1,0,0,0,0|2,0,1]=4 1609 B10R0.1 CSCN(C)CCCCCO 269982a_100000722520_100011218213 [0,1,0,0,0,0|2,0,1]=4 1610 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,1,0,0,0,0|1,0,2]=4 1611 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,1,0,0,0,0|1,0,2]=4 1612 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,1,0,0,0,0|2,0,1]=4 1613 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,1,0,0,0,0|1,0,1]=3 1614 B10R0.1 O=C(C=CBr)CCOCCO 1458a_100016273825_100011215305 [0,1,0,0,0,0|2,0,1]=4 1615 B10R0.1 O=C(C=CBr)NCCCCO 240690a_100000750430_100016273825 [0,1,0,0,0,0|2,0,1]=4 1616 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,1,0,0,0,0|2,0,1]=4 1617 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,1,0,0,0,0|1,0,1]=3 1618 B10R0.1 O=C(C=CCl)CCOCCO 1458a_200016279998_100011215305 [0,1,0,0,0,0|2,0,1]=4 1619 B10R0.1 O=C(C=CCl)NCCCCO 240690a_100000750430_200016279998 [0,1,0,0,0,0|2,0,1]=4 1620 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,1,0,0,0,0|2,0,1]=4 1621 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,1,0,0,0,0|1,0,1]=3 1622 B10R0.1 O=C(C=CI)CCOCCO 1458a_100016256311_100011215305 [0,1,0,0,0,0|2,0,1]=4 1623 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,1,0,0,0,0|1,0,1]=3 1624 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,1,0,0,0,0|2,0,1]=4 1625 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,0,0,0,0|2,0,1]=4 1626 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,0,0,0,0|1,0,1]=3 1627 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,0,0,0,0|1,0,1]=3 1628 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,1,0,0,0,0|2,0,1]=4 1629 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,1,0,0,0,0|2,0,1]=4 1630 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,1,0,0,0,0|2,0,1]=4 1631 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,1,0,0,0,0|3,0,0]=4 1632 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,1,0,0,0,0|3,0,0]=4 1633 B10R0.4 C/C=C/C=C/COCC(C)O 34a_100016283227_100011218427 [0,1,0,0,0,0|1,0,2]=4 1634 B10R0.4 C/C=C/C=C/COC[C@@H](C)O 34a_100016283227_100009817552 [0,1,0,0,0,0|1,0,2]=4 1635 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,1,0,0,0,0|1,0,2]=4 1636 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,1,0,0,0,0|1,0,2]=4 1637 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,1,0,0,0,0|1,0,2]=4 1638 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,1,0,0,0,0|1,0,2]=4 1639 B10R0.4 C=C(Br)CCOC/C=C\CC 34a_100009813270_100103147603 [0,1,0,0,0,0|2,0,1]=4 1640 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100000764851_100103147603 [0,1,0,0,0,0|2,0,1]=4 1641 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100016268518_100000730704 [0,1,0,0,0,0|2,0,1]=4 1642 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100000730704_100103147603 [0,1,0,0,0,0|2,0,1]=4 1643 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100103147603_100000730704 [0,1,0,0,0,0|2,0,1]=4 1644 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,1,0,0,0,0|1,0,2]=4 1645 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,1,0,0,0,0|1,0,2]=4 1646 B10R0.4 C=C(C)COCC/C=C\CC 34a_100000210245_100015370543 [0,1,0,0,0,0|2,0,1]=4 1647 B10R0.4 C=C(C)COCC/C=C\CC 34a_100016288707_100000748629 [0,1,0,0,0,0|2,0,1]=4 1648 B10R0.4 C=C(C)COCC/C=C\CC 7a_100016288707_100000748629 [0,1,0,0,0,0|2,0,1]=4 1649 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,1,0,0,0,0|1,0,2]=4 1650 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100000748629_100015370543 [0,1,0,0,0,0|2,0,1]=4 1651 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100015370543_100000211660 [0,1,0,0,0,0|2,0,1]=4 1652 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,1,0,0,0,0|1,0,2]=4 1653 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,1,0,0,0,0|1,0,2]=4 1654 B10R0.4 C=C(F)COCC/C=C\CC 34a_100016288707_100009893438 [0,1,0,0,0,0|2,0,1]=4 1655 B10R0.4 C=C(F)COCC/C=C\CC 34a_200010262243_100015370543 [0,1,0,0,0,0|2,0,1]=4 1656 B10R0.4 C=C(F)COCC/C=C\CC 7a_100016288707_100000042424 [0,1,0,0,0,0|2,0,1]=4 1657 B10R0.4 C=C(F)CSCC/C=C\CC 62a_100000042424_100015370543 [0,1,0,0,0,0|2,0,1]=4 1658 B10R0.4 C=C(F)CSCC/C=C\CC 62a_100015370543_100000042424 [0,1,0,0,0,0|2,0,1]=4 1659 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [0,1,0,0,0,0|1,0,2]=4 1660 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [0,1,0,0,0,0|1,0,2]=4 1661 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [0,1,0,0,0,0|1,0,2]=4 1662 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [0,1,0,0,0,0|1,0,2]=4 1663 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [0,1,0,0,0,0|1,0,2]=4 1664 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,1,0,0,0,0|1,0,2]=4 1665 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [0,1,0,0,0,0|1,0,2]=4 1666 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [0,1,0,0,0,0|1,0,2]=4 1667 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|0,0,3]=4 1668 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|0,0,3]=4 1669 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|1,0,2]=4 1670 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|1,0,2]=4 1671 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|1,0,2]=4 1672 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,1,0,0,0,0|1,0,2]=4 1673 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,1,0,0,0,0|2,0,1]=4 1674 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,1,0,0,0,0|1,0,1]=3 1675 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [0,1,0,0,0,0|2,0,1]=4 1676 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,1,0,0,0,0|1,0,2]=4 1677 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,1,0,0,0,0|1,0,2]=4 1678 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,1,0,0,0,0|1,0,2]=4 1679 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,1,0,0,0,0|1,0,2]=4 1680 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,1,0,0,0,0|1,0,2]=4 1681 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,1,0,0,0,0|1,0,2]=4 1682 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,1,0,0,0,0|1,0,2]=4 1683 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,1,0,0,0,0|1,0,2]=4 1684 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,1,0,0,0,0|1,0,2]=4 1685 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,1,0,0,0,0|1,0,2]=4 1686 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,1,0,0,0,0|1,0,2]=4 1687 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,1,0,0,0,0|1,0,2]=4 1688 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,1,0,0,0,0|1,0,2]=4 1689 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,1,0,0,0,0|1,0,2]=4 1690 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,1,0,0,0,0|1,0,2]=4 1691 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,1,0,0,0,0|1,0,2]=4 1692 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,1,0,0,0,0|1,0,2]=4 1693 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,1,0,0,0,0|1,0,2]=4 1694 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,1,0,0,0,0|1,0,2]=4 1695 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,1,0,0,0,0|2,0,1]=4 1696 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,1,0,0,0,0|2,0,1]=4 1697 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,1,0,0,0,0|1,0,1]=3 1698 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,1,0,0,0,0|1,0,1]=3 1699 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,1,0,0,0,0|1,0,1]=3 1700 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,1,0,0,0,0|1,0,1]=3 1701 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,1,0,0,0,0|1,0,1]=3 1702 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [0,1,0,0,0,0|2,0,1]=4 1703 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [0,1,0,0,0,0|2,0,1]=4 1704 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [0,1,0,0,0,0|2,0,1]=4 1705 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [0,1,0,0,0,0|2,0,1]=4 1706 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [0,1,0,0,0,0|2,0,1]=4 1707 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [0,1,0,0,0,0|2,0,1]=4 1708 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [0,1,0,0,0,0|2,0,1]=4 1709 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [0,1,0,0,0,0|2,0,1]=4 1710 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,1,0,0,0,0|2,0,1]=4 1711 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,1,0,0,0,0|2,0,1]=4 1712 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,1,0,0,0,0|2,0,1]=4 1713 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,1,0,0,0,0|2,0,1]=4 1714 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,1,0,0,0,0|2,0,1]=4 1715 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,1,0,0,0,0|2,0,1]=4 1716 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,1,0,0,0,0|2,0,1]=4 1717 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,1,0,0,0,0|2,0,1]=4 1718 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,1,0,0,0,0|1,0,1]=3 1719 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [0,1,0,0,0,0|2,0,1]=4 1720 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [0,1,0,0,0,0|2,0,1]=4 1721 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [0,1,0,0,0,0|2,0,1]=4 1722 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,1,0,0,0,0|2,0,1]=4 1723 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,1,0,0,0,0|2,0,1]=4 1724 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,1,0,0,0,0|1,0,1]=3 1725 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,1,0,0,0,0|1,0,1]=3 1726 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [0,1,0,0,0,0|2,0,1]=4 1727 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [0,1,0,0,0,0|2,0,1]=4 1728 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [0,1,0,0,0,0|2,0,1]=4 1729 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [0,1,0,0,0,0|2,0,1]=4 1730 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,1,0,0,0,0|2,0,1]=4 1731 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,1,0,0,0,0|2,0,1]=4 1732 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,1,0,0,0,0|1,0,1]=3 1733 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,1,0,0,0,0|1,0,1]=3 1734 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,1,0,0,0,0|1,0,1]=3 1735 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,1,0,0,0,0|1,0,1]=3 1736 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [0,1,0,0,0,0|2,0,1]=4 1737 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [0,1,0,0,0,0|2,0,1]=4 1738 B10R0.4 CC(C)NN=CCCCCO 4a_100000741168_100000031955 [0,1,0,0,0,0|2,0,1]=4 1739 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,1,0,0,0,0|2,0,1]=4 1740 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,1,0,0,0,0|2,0,1]=4 1741 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,1,0,0,0,0|2,0,1]=4 1742 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,1,0,0,0,0|2,0,1]=4 1743 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,1,0,0,0,0|2,0,1]=4 1744 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,1,0,0,0,0|2,0,1]=4 1745 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,1,0,0,0,0|2,0,1]=4 1746 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,1,0,0,0,0|2,0,1]=4 1747 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,1,0,0,0,0|1,0,1]=3 1748 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,1,0,0,0,0|2,0,1]=4 1749 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,1,0,0,0,0|2,0,1]=4 1750 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,1,0,0,0,0|2,0,1]=4 1751 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,1,0,0,0,0|2,0,1]=4 1752 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,1,0,0,0,0|2,0,1]=4 1753 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,1,0,0,0,0|2,0,1]=4 1754 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,1,0,0,0,0|2,0,1]=4 1755 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,1,0,0,0,0|2,0,1]=4 1756 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [0,1,0,0,0,0|2,0,1]=4 1757 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [0,1,0,0,0,0|2,0,1]=4 1758 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [0,1,0,0,0,0|2,0,1]=4 1759 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [0,1,0,0,0,0|2,0,1]=4 1760 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,1,0,0,0,0|2,0,1]=4 1761 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,1,0,0,0,0|2,0,1]=4 1762 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,1,0,0,0,0|1,0,1]=3 1763 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,1,0,0,0,0|1,0,1]=3 1764 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [0,1,0,0,0,0|2,0,1]=4 1765 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [0,1,0,0,0,0|2,0,1]=4 1766 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [0,1,0,0,0,0|2,0,1]=4 1767 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [0,1,0,0,0,0|2,0,1]=4 1768 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [0,1,0,0,0,0|2,0,1]=4 1769 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [0,1,0,0,0,0|2,0,1]=4 1770 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,1,0,0,0,0|2,0,1]=4 1771 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,1,0,0,0,0|1,0,1]=3 1772 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [0,1,0,0,0,0|2,0,1]=4 1773 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,1,0,0,0,0|1,0,2]=4 1774 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,1,0,0,0,0|1,0,2]=4 1775 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,1,0,0,0,0|1,0,2]=4 1776 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,1,0,0,0,0|1,0,2]=4 1777 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,1,0,0,0,0|1,0,2]=4 1778 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,1,0,0,0,0|1,0,2]=4 1779 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,1,0,0,0,0|1,0,2]=4 1780 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,1,0,0,0,0|2,0,1]=4 1781 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|2,0,1]=4 1782 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,1,0,0,0,0|1,0,1]=3 1783 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,1,0,0,0,0|1,0,1]=3 1784 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|1,0,1]=3 1785 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,1,0,0,0,0|1,0,1]=3 1786 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [0,1,0,0,0,0|2,0,1]=4 1787 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [0,1,0,0,0,0|2,0,1]=4 1788 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [0,1,0,0,0,0|2,0,1]=4 1789 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [0,1,0,0,0,0|2,0,1]=4 1790 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [0,1,0,0,0,0|2,0,1]=4 1791 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,1,0,0,0,0|2,0,1]=4 1792 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,1,0,0,0,0|2,0,1]=4 1793 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 1794 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 1795 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,1,0,0,0,0|2,0,1]=4 1796 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,1,0,0,0,0|2,0,1]=4 1797 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,1,0,0,0,0|2,0,1]=4 1798 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,1,0,0,0,0|2,0,1]=4 1799 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,1,0,0,0,0|2,0,1]=4 1800 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,1,0,0,0,0|1,0,1]=3 1801 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,1,0,0,0,0|1,0,1]=3 1802 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [0,1,0,0,0,0|2,0,1]=4 1803 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [0,1,0,0,0,0|2,0,1]=4 1804 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [0,1,0,0,0,0|2,0,0]=3 1805 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [0,1,0,0,0,0|2,0,0]=3 1806 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,1,0,0,0,0|1,0,2]=4 1807 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,1,0,0,0,0|1,0,1]=3 1808 B10R0.4 CC/C=C\CCNCC(C)C 2230a_100000210953_100015370543 [0,1,0,0,0,0|2,0,0]=3 1809 B10R0.4 CC/C=C\CCNCC(C)C 34a_100000210953_100015370543 [0,1,0,0,0,0|2,0,0]=3 1810 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [0,1,0,0,0,0|1,0,0]=2 1811 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [0,1,0,0,0,0|1,0,0]=2 1812 B10R0.4 CC/C=C\CCNCC(F)F 34a_100000765723_100015370543 [0,1,0,0,0,0|2,0,0]=3 1813 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,0,0,0,0|1,0,2]=4 1814 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 1815 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 1816 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,1,0,0,0,0|1,0,2]=4 1817 B10R0.4 CC/C=C\CCOCC(C)Br 34a_100012180447_100015370543 [0,1,0,0,0,0|2,0,0]=3 1818 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [0,1,0,0,0,0|2,0,0]=3 1819 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [0,1,0,0,0,0|2,0,0]=3 1820 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [0,1,0,0,0,0|2,0,0]=3 1821 B10R0.4 CC/C=C\CCOCC(C)F 34a_100015925927_100015370543 [0,1,0,0,0,0|2,0,0]=3 1822 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,1,0,0,0,0|1,0,0]=2 1823 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,1,0,0,0,0|1,0,0]=2 1824 B10R0.4 CC/C=C\CCOCC(F)F 34a_100000743014_100015370543 [0,1,0,0,0,0|2,0,0]=3 1825 B10R0.4 CC/C=C\CCOCC(F)F 34a_100016288707_100011934356 [0,1,0,0,0,0|2,0,0]=3 1826 B10R0.4 CC/C=C\CCOCC(F)F 7a_100016288707_100011934356 [0,1,0,0,0,0|2,0,0]=3 1827 B10R0.4 CC/C=C\CCOC[C@@H](C)Cl 34a_100016084084_100015370543 [0,1,0,0,0,0|2,0,0]=3 1828 B10R0.4 CC/C=C\CCOC[C@@H](C)N 34a_100000737577_100015370543 [0,1,0,0,0,0|2,0,0]=3 1829 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,1,0,0,0,0|1,0,0]=2 1830 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,1,0,0,0,0|1,0,0]=2 1831 B10R0.4 CC/C=C\CCOC[N+](=O)[O-] 34a_100016288707_100000761209 [0,1,0,0,0,0|2,0,1]=4 1832 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,1,0,0,0,0|1,0,2]=4 1833 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,1,0,0,0,0|1,0,2]=4 1834 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,1,0,0,0,0|1,0,2]=4 1835 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,1,0,0,0,0|1,0,2]=4 1836 B10R0.4 CC/C=C\CCSCC(C)C 62a_100000210624_100015370543 [0,1,0,0,0,0|2,0,0]=3 1837 B10R0.4 CC/C=C\CCSCC(C)C 62a_100015370543_100000210760 [0,1,0,0,0,0|2,0,0]=3 1838 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [0,1,0,0,0,0|1,0,0]=2 1839 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [0,1,0,0,0,0|1,0,0]=2 1840 B10R0.4 CC/C=C\CCSCC(F)F 62a_100011934356_100015370543 [0,1,0,0,0,0|2,0,0]=3 1841 B10R0.4 CC/C=C\CCSCC(F)F 62a_100015370543_100011934356 [0,1,0,0,0,0|2,0,0]=3 1842 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [0,1,0,0,0,0|1,0,0]=2 1843 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [0,1,0,0,0,0|1,0,0]=2 1844 B10R0.4 CC/C=C\CCSC[N+](=O)[O-] 62a_100015370543_100000761209 [0,1,0,0,0,0|2,0,1]=4 1845 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,1,0,0,0,0|1,0,0]=2 1846 B10R0.4 CC/C=C\CNOCC(=O)O 269956a_100000106656_100103147603 [0,1,0,0,0,0|2,0,1]=4 1847 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 1848 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 1849 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,1,0,0,0,0|1,0,2]=4 1850 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,1,0,0,0,0|1,0,2]=4 1851 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,1,0,0,0,0|1,0,2]=4 1852 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [0,1,0,0,0,0|2,0,0]=3 1853 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [0,1,0,0,0,0|2,0,0]=3 1854 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [0,1,0,0,0,0|2,0,0]=3 1855 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [0,1,0,0,0,0|2,0,0]=3 1856 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,1,0,0,0,0|1,0,0]=2 1857 B10R0.4 CC/C=C\COCCC(F)F 34a_100103093639_100103147603 [0,1,0,0,0,0|2,0,0]=3 1858 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [0,1,0,0,0,0|2,0,0]=3 1859 B10R0.4 CC/C=C\COCOC(C)C 34a_100016268518_100000709892 [0,1,0,0,0,0|3,0,0]=4 1860 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,1,0,0,0,0|1,0,2]=4 1861 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,1,0,0,0,0|1,0,2]=4 1862 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,1,0,0,0,0|1,0,2]=4 1863 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,1,0,0,0,0|1,0,2]=4 1864 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [0,1,0,0,0,0|2,0,0]=3 1865 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [0,1,0,0,0,0|2,0,0]=3 1866 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,1,0,0,0,0|1,0,0]=2 1867 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,1,0,0,0,0|1,0,0]=2 1868 B10R0.4 CC/C=C\CSCCN(C)C 62a_100103147603_100000755713 [0,1,0,0,0,0|3,0,0]=4 1869 B10R0.4 CC/C=C\CSCOC(C)C 62a_100000709892_100103147603 [0,1,0,0,0,0|3,0,0]=4 1870 B10R0.4 CC/C=C\CSCOC(C)C 62a_100103147603_100000709892 [0,1,0,0,0,0|3,0,0]=4 1871 B10R0.4 CC=C=CCCOCC(C)O 34a_100011020354_100011218427 [0,1,0,0,0,0|1,0,2]=4 1872 B10R0.4 CC=C=CCCOC[C@@H](C)O 34a_100011020354_100009817552 [0,1,0,0,0,0|1,0,2]=4 1873 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,1,0,0,0,0|1,0,2]=4 1874 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,1,0,0,0,0|1,0,2]=4 1875 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,1,0,0,0,0|1,0,2]=4 1876 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,1,0,0,0,0|1,0,2]=4 1877 B10R0.4 CCC#CCCOCC(C)O 34a_100000036655_100011218427 [0,1,0,0,0,0|1,0,2]=4 1878 B10R0.4 CCC#CCCOCC(C)O 7a_100000036655_100011218427 [0,1,0,0,0,0|1,0,2]=4 1879 B10R0.4 CCC#CCCOC[C@@H](C)O 34a_100000036655_100009817552 [0,1,0,0,0,0|1,0,2]=4 1880 B10R0.4 CCC#CCCOC[C@@H](C)O 7a_100000036655_100009817552 [0,1,0,0,0,0|1,0,2]=4 1881 B10R0.4 CCC#CCNCCC(C)O 2230a_200000755665_100009813939 [0,1,0,0,0,0|1,0,2]=4 1882 B10R0.4 CCC#CCOCCC(C)O 34a_100000032950_100012276601 [0,1,0,0,0,0|1,0,2]=4 1883 B10R0.4 CCC#CCSCCC(C)O 62a_100009813939_100012276601 [0,1,0,0,0,0|1,0,2]=4 1884 B10R0.4 CCC#CCSCCC(C)O 62a_100012276601_100009813939 [0,1,0,0,0,0|1,0,2]=4 1885 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,1,0,0,0,0|1,0,2]=4 1886 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,1,0,0,0,0|1,0,2]=4 1887 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,1,0,0,0,0|1,0,2]=4 1888 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,1,0,0,0,0|1,0,2]=4 1889 B10R0.4 CCC=CC=NNCC(C)O 4a_200000730056_100011216943 [0,1,0,0,0,0|2,0,1]=4 1890 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|1,0,1]=3 1891 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|1,0,1]=3 1892 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,1,0,0,0,0|2,0,1]=4 1893 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,1,0,0,0,0|2,0,1]=4 1894 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,1,0,0,0,0|2,0,1]=4 1895 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,1,0,0,0,0|2,0,1]=4 1896 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,1,0,0,0,0|2,0,1]=4 1897 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,1,0,0,0,0|2,0,1]=4 1898 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,1,0,0,0,0|2,0,1]=4 1899 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,1,0,0,0,0|2,0,1]=4 1900 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,1,0,0,0,0|2,0,1]=4 1901 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,1,0,0,0,0|2,0,1]=4 1902 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,1,0,0,0,0|2,0,1]=4 1903 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,1,0,0,0,0|2,0,1]=4 1904 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,0,0,0,0|1,0,2]=4 1905 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,0,0,0,0|1,0,2]=4 1906 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,0,0,0,0|1,0,2]=4 1907 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,0,0,0,0|1,0,2]=4 1908 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,1,0,0,0,0|2,0,1]=4 1909 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,1,0,0,0,0|2,0,1]=4 1910 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,1,0,0,0,0|2,0,1]=4 1911 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,1,0,0,0,0|2,0,1]=4 1912 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,1,0,0,0,0|2,0,1]=4 1913 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,0,0,0,0|1,0,2]=4 1914 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,0,0,0,0|1,0,2]=4 1915 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,1,0,0,0,0|2,0,1]=4 1916 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,1,0,0,0,0|2,0,1]=4 1917 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,0,0,0,0|1,0,2]=4 1918 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,0,0,0,0|1,0,2]=4 1919 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,1,0,0,0,0|2,0,1]=4 1920 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,1,0,0,0,0|2,0,1]=4 1921 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,0,0,0,0|1,0,2]=4 1922 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,0,0,0,0|1,0,2]=4 1923 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,0,0,0,0|1,0,2]=4 1924 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,0,0,0,0|1,0,2]=4 1925 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,0,0,0,0|1,0,2]=4 1926 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,0,0,0,0|1,0,2]=4 1927 B10R0.4 CCCCCNN=CC(C)C 4a_100000694160_100000210432 [0,1,0,0,0,0|3,0,0]=4 1928 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,0,0,0,0|1,0,2]=4 1929 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,0,0,0,0|1,0,2]=4 1930 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,0,0,0,0|1,0,2]=4 1931 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,0,0,0,0|1,0,2]=4 1932 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,0,0,0,0|1,0,2]=4 1933 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,0,0,0,0|1,0,2]=4 1934 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,0,0,0,0|1,0,2]=4 1935 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,0,0,0,0|1,0,2]=4 1936 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,0,0,0,0|1,0,2]=4 1937 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,0,0,0,0|1,0,2]=4 1938 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,1,0,0,0,0|2,0,1]=4 1939 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,1,0,0,0,0|2,0,1]=4 1940 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,1,0,0,0,0|2,0,1]=4 1941 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,1,0,0,0,0|2,0,1]=4 1942 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,1,0,0,0,0|2,0,1]=4 1943 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,1,0,0,0,0|2,0,1]=4 1944 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,1,0,0,0,0|2,0,1]=4 1945 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,1,0,0,0,0|2,0,1]=4 1946 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,1,0,0,0,0|2,0,1]=4 1947 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,1,0,0,0,0|2,0,1]=4 1948 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,1,0,0,0,0|2,0,1]=4 1949 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,1,0,0,0,0|2,0,1]=4 1950 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,1,0,0,0,0|2,0,1]=4 1951 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,1,0,0,0,0|2,0,1]=4 1952 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,1,0,0,0,0|2,0,1]=4 1953 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,1,0,0,0,0|2,0,1]=4 1954 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,1,0,0,0,0|2,0,1]=4 1955 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,1,0,0,0,0|2,0,1]=4 1956 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,1,0,0,0,0|2,0,1]=4 1957 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,1,0,0,0,0|2,0,1]=4 1958 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,1,0,0,0,0|2,0,1]=4 1959 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,1,0,0,0,0|2,0,1]=4 1960 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,1,0,0,0,0|2,0,1]=4 1961 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,1,0,0,0,0|2,0,1]=4 1962 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,1,0,0,0,0|2,0,1]=4 1963 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,1,0,0,0,0|2,0,1]=4 1964 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,1,0,0,0,0|2,0,1]=4 1965 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,1,0,0,0,0|2,0,1]=4 1966 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,1,0,0,0,0|2,0,1]=4 1967 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,1,0,0,0,0|2,0,1]=4 1968 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,1,0,0,0,0|2,0,1]=4 1969 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,1,0,0,0,0|2,0,1]=4 1970 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,1,0,0,0,0|2,0,1]=4 1971 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,1,0,0,0,0|2,0,1]=4 1972 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,1,0,0,0,0|2,0,1]=4 1973 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,1,0,0,0,0|2,0,1]=4 1974 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,1,0,0,0,0|2,0,1]=4 1975 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,1,0,0,0,0|2,0,1]=4 1976 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,1,0,0,0,0|2,0,1]=4 1977 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,1,0,0,0,0|2,0,1]=4 1978 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,1,0,0,0,0|2,0,1]=4 1979 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,1,0,0,0,0|2,0,1]=4 1980 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,1,0,0,0,0|2,0,1]=4 1981 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,1,0,0,0,0|2,0,1]=4 1982 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,1,0,0,0,0|2,0,1]=4 1983 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,1,0,0,0,0|2,0,1]=4 1984 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,1,0,0,0,0|2,0,1]=4 1985 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,1,0,0,0,0|2,0,1]=4 1986 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,1,0,0,0,0|2,0,1]=4 1987 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,1,0,0,0,0|2,0,1]=4 1988 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,1,0,0,0,0|2,0,1]=4 1989 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,1,0,0,0,0|2,0,1]=4 1990 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,1,0,0,0,0|2,0,1]=4 1991 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,1,0,0,0,0|2,0,1]=4 1992 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,1,0,0,0,0|2,0,1]=4 1993 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,1,0,0,0,0|2,0,1]=4 1994 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,1,0,0,0,0|2,0,1]=4 1995 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,1,0,0,0,0|2,0,1]=4 1996 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,1,0,0,0,0|2,0,1]=4 1997 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,1,0,0,0,0|2,0,1]=4 1998 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,1,0,0,0,0|2,0,1]=4 1999 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,1,0,0,0,0|2,0,1]=4 2000 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,1,0,0,0,0|2,0,1]=4 2001 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,1,0,0,0,0|2,0,1]=4 2002 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,1,0,0,0,0|2,0,1]=4 2003 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,1,0,0,0,0|2,0,1]=4 2004 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,1,0,0,0,0|2,0,1]=4 2005 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,1,0,0,0,0|2,0,1]=4 2006 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,1,0,0,0,0|2,0,1]=4 2007 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,1,0,0,0,0|2,0,1]=4 2008 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,1,0,0,0,0|2,0,1]=4 2009 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,1,0,0,0,0|2,0,1]=4 2010 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,1,0,0,0,0|2,0,1]=4 2011 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,1,0,0,0,0|1,0,2]=4 2012 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,1,0,0,0,0|1,0,2]=4 2013 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,1,0,0,0,0|2,0,1]=4 2014 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,1,0,0,0,0|1,0,1]=3 2015 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [0,1,0,0,0,0|2,0,1]=4 2016 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|1,0,2]=4 2017 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,1,0,0,0,0|2,0,1]=4 2018 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,1,0,0,0,0|1,0,1]=3 2019 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [0,1,0,0,0,0|2,0,1]=4 2020 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,1,0,0,0,0|1,0,1]=3 2021 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,1,0,0,0,0|1,0,1]=3 2022 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [0,1,0,0,0,0|2,0,1]=4 2023 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [0,1,0,0,0,0|2,0,1]=4 2024 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [0,1,0,0,0,0|2,0,1]=4 2025 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,1,0,0,0,0|2,0,1]=4 2026 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,1,0,0,0,0|2,0,1]=4 2027 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 2028 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 2029 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,1,0,0,0,0|2,0,1]=4 2030 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,1,0,0,0,0|2,0,1]=4 2031 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,1,0,0,0,0|2,0,1]=4 2032 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,1,0,0,0,0|2,0,1]=4 2033 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,1,0,0,0,0|2,0,1]=4 2034 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,1,0,0,0,0|1,0,1]=3 2035 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,1,0,0,0,0|1,0,1]=3 2036 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [0,1,0,0,0,0|2,0,1]=4 2037 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [0,1,0,0,0,0|2,0,1]=4 2038 B10R0.4 OCCCCCNCC(F)F 2230a_100000762737_100011934356 [0,1,0,0,0,0|2,0,1]=4 2039 B10R0.4 OCCCCCNCC(F)F 34a_100000762737_100011934356 [0,1,0,0,0,0|2,0,1]=4 2040 B10R0.4 OCCCCCNCC(F)F 34a_100000765723_100000746330 [0,1,0,0,0,0|2,0,1]=4 2041 B10R0.4 OCCCCCOCC(F)F 34a_100000743014_100000746330 [0,1,0,0,0,0|2,0,1]=4 2042 B10R0.4 OCCCCCSCC(F)F 62a_100000746330_100011934356 [0,1,0,0,0,0|2,0,1]=4 2043 B10R0.4 OCCCCCSCC(F)F 62a_100011934356_100000746330 [0,1,0,0,0,0|2,0,1]=4 2044 B10R0.4 OCCCSC/C=C/B(O)O 62a_100011215043_100016262062 [0,1,0,0,0,0|3,0,0]=4 2045 B10R0.4 OCCCSC/C=C/B(O)O 62a_100016262062_100011215043 [0,1,0,0,0,0|3,0,0]=4 2046 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|0,0,3]=4 2047 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,1,0,0,0,0|2,0,1]=4 2048 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,1,0,0,0,0|2,0,1]=4 2049 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,1,0,0,0,0|2,0,1]=4 2050 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,1,0,0,0,0|2,0,1]=4 2051 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,1,0,0,0,0|2,0,1]=4 2052 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,1,0,0,0,0|2,0,1]=4 2053 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,1,0,0,0,0|2,0,1]=4 2054 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,1,0,0,0,0|2,0,1]=4 2055 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,1,0,0,0,0|2,0,1]=4 2056 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,1,0,0,0,0|2,0,1]=4 2057 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,1,0,0,0,0|2,0,1]=4 2058 B10R0.71 C#CCCCNC/C=C\CC 34a_100000718082_100103147603 [0,1,0,0,0,0|1,0,1]=3 2059 B10R0.71 C#CCCCOC/C=C\CC 34a_100000215630_100103147603 [0,1,0,0,0,0|1,0,1]=3 2060 B10R0.71 C#CCCCOC/C=C\CC 34a_100016268518_100000695029 [0,1,0,0,0,0|1,0,1]=3 2061 B10R0.71 C#CCCCOC/C=C\CC 7a_100000215630_100103147603 [0,1,0,0,0,0|1,0,1]=3 2062 B10R0.71 C#CCCCSC/C=C\CC 62a_100011215417_100103147603 [0,1,0,0,0,0|1,0,1]=3 2063 B10R0.71 C#CCCCSC/C=C\CC 62a_100103147603_100011215417 [0,1,0,0,0,0|1,0,1]=3 2064 B10R0.71 C#CCCNCC/C=C\CC 34a_100000755551_100015370543 [0,1,0,0,0,0|1,0,1]=3 2065 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,1,0,0,0,0|1,0,2]=4 2066 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,1,0,0,0,0|1,0,2]=4 2067 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,1,0,0,0,0|1,0,2]=4 2068 B10R0.71 C#CCCOC/C=C/CCC 34a_100016278788_100000688953 [0,1,0,0,0,0|2,0,1]=4 2069 B10R0.71 C#CCCOC/C=C/CCC 7a_100016278788_100000688953 [0,1,0,0,0,0|2,0,1]=4 2070 B10R0.71 C#CCCOCC/C=C\CC 34a_100011215631_100015370543 [0,1,0,0,0,0|1,0,1]=3 2071 B10R0.71 C#CCCOCC/C=C\CC 34a_100016288707_100000688953 [0,1,0,0,0,0|1,0,1]=3 2072 B10R0.71 C#CCCOCC/C=C\CC 7a_100016288707_100000688953 [0,1,0,0,0,0|1,0,1]=3 2073 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,1,0,0,0,0|1,0,2]=4 2074 B10R0.71 C#CCCSCC/C=C\CC 62a_100000688953_100015370543 [0,1,0,0,0,0|1,0,1]=3 2075 B10R0.71 C#CCCSCC/C=C\CC 62a_100015370543_100000688953 [0,1,0,0,0,0|1,0,1]=3 2076 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,1,0,0,0,0|1,0,2]=4 2077 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,1,0,0,0,0|1,0,2]=4 2078 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [0,1,0,0,0,0|1,0,2]=4 2079 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [0,1,0,0,0,0|1,0,2]=4 2080 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [0,1,0,0,0,0|1,0,2]=4 2081 B10R0.71 C#CCOCCC/C=C/CC 34a_100016287902_100000184674 [0,1,0,0,0,0|1,0,1]=3 2082 B10R0.71 C#CCOCCC/C=C/CC 7a_100016287902_100000038162 [0,1,0,0,0,0|1,0,1]=3 2083 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,1,0,0,0,0|1,0,2]=4 2084 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [0,1,0,0,0,0|1,0,2]=4 2085 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [0,1,0,0,0,0|1,0,2]=4 2086 B10R0.71 C/C=C/C=C/COCCCF 34a_100016283227_100011934791 [0,1,0,0,0,0|1,0,2]=4 2087 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [0,1,0,0,0,0|0,0,2]=3 2088 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [0,1,0,0,0,0|1,0,2]=4 2089 B10R0.71 C/C=C/CCOC/C=C\CC 34a_100016278192_100103147603 [0,1,0,0,0,0|1,0,2]=4 2090 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,1,0,0,0,0|1,0,2]=4 2091 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,1,0,0,0,0|1,0,2]=4 2092 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,1,0,0,0,0|0,0,2]=3 2093 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,1,0,0,0,0|1,0,2]=4 2094 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,1,0,0,0,0|0,0,2]=3 2095 B10R0.71 C/C=C/CNCCOCCO 34a_100000211614_100102629194 [0,1,0,0,0,0|1,0,2]=4 2096 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016270725_100015370543 [0,1,0,0,0,0|1,0,2]=4 2097 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016288707_100102629194 [0,1,0,0,0,0|1,0,2]=4 2098 B10R0.71 C/C=C/COCC/C=C\CC 7a_100016288707_100102629194 [0,1,0,0,0,0|1,0,2]=4 2099 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,1,0,0,0,0|1,0,2]=4 2100 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,1,0,0,0,0|1,0,2]=4 2101 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,1,0,0,0,0|1,0,2]=4 2102 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,1,0,0,0,0|1,0,2]=4 2103 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,1,0,0,0,0|1,0,2]=4 2104 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,1,0,0,0,0|1,0,2]=4 2105 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,1,0,0,0,0|1,0,2]=4 2106 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,1,0,0,0,0|1,0,2]=4 2107 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,1,0,0,0,0|1,0,2]=4 2108 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,1,0,0,0,0|1,0,2]=4 2109 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,1,0,0,0,0|1,0,2]=4 2110 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,1,0,0,0,0|0,0,2]=3 2111 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,1,0,0,0,0|1,0,2]=4 2112 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,1,0,0,0,0|1,0,2]=4 2113 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [0,1,0,0,0,0|1,0,2]=4 2114 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100015370543_100102629194 [0,1,0,0,0,0|1,0,2]=4 2115 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100102629194_100015370543 [0,1,0,0,0,0|1,0,2]=4 2116 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,1,0,0,0,0|1,0,2]=4 2117 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,1,0,0,0,0|1,0,2]=4 2118 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,1,0,0,0,0|1,0,2]=4 2119 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,1,0,0,0,0|1,0,2]=4 2120 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,1,0,0,0,0|0,0,2]=3 2121 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,1,0,0,0,0|0,0,2]=3 2122 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,1,0,0,0,0|1,0,2]=4 2123 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,1,0,0,0,0|1,0,2]=4 2124 B10R0.71 C/C=C/CSCCOCCO 62a_100011215305_100102629194 [0,1,0,0,0,0|1,0,2]=4 2125 B10R0.71 C/C=C/CSCCOCCO 62a_100102629194_100011215305 [0,1,0,0,0,0|1,0,2]=4 2126 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,1,0,0,0,0|2,0,1]=4 2127 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,1,0,0,0,0|2,0,1]=4 2128 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,1,0,0,0,0|2,0,1]=4 2129 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,1,0,0,0,0|2,0,1]=4 2130 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,1,0,0,0,0|2,0,1]=4 2131 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,1,0,0,0,0|2,0,1]=4 2132 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,1,0,0,0,0|2,0,1]=4 2133 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,1,0,0,0,0|2,0,1]=4 2134 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,1,0,0,0,0|2,0,1]=4 2135 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,1,0,0,0,0|2,0,1]=4 2136 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,1,0,0,0,0|2,0,1]=4 2137 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [0,1,0,0,0,0|1,0,1]=3 2138 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [0,1,0,0,0,0|1,0,1]=3 2139 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [0,1,0,0,0,0|1,0,1]=3 2140 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [0,1,0,0,0,0|1,0,1]=3 2141 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [0,1,0,0,0,0|1,0,1]=3 2142 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [0,1,0,0,0,0|1,0,1]=3 2143 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [0,1,0,0,0,0|1,0,1]=3 2144 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [0,1,0,0,0,0|1,0,1]=3 2145 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,1,0,0,0,0|1,0,2]=4 2146 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,1,0,0,0,0|1,0,2]=4 2147 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,1,0,0,0,0|1,0,2]=4 2148 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [0,1,0,0,0,0|2,0,1]=4 2149 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [0,1,0,0,0,0|2,0,1]=4 2150 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [0,1,0,0,0,0|1,0,1]=3 2151 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [0,1,0,0,0,0|1,0,1]=3 2152 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [0,1,0,0,0,0|1,0,1]=3 2153 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,1,0,0,0,0|1,0,2]=4 2154 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [0,1,0,0,0,0|1,0,1]=3 2155 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [0,1,0,0,0,0|1,0,1]=3 2156 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,1,0,0,0,0|1,0,2]=4 2157 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,1,0,0,0,0|1,0,2]=4 2158 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,1,0,0,0,0|1,0,2]=4 2159 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,1,0,0,0,0|1,0,2]=4 2160 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,1,0,0,0,0|1,0,2]=4 2161 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [0,1,0,0,0,0|1,0,1]=3 2162 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [0,1,0,0,0,0|1,0,1]=3 2163 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,1,0,0,0,0|1,0,2]=4 2164 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,1,0,0,0,0|1,0,2]=4 2165 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,1,0,0,0,0|1,0,2]=4 2166 B10R0.71 C=COCCOC/C=C\CC 34a_100000033082_100103147603 [0,1,0,0,0,0|2,0,1]=4 2167 B10R0.71 C=COCCOC/C=C\CC 34a_100016268518_100000039644 [0,1,0,0,0,0|2,0,1]=4 2168 B10R0.71 C=COCCSC/C=C\CC 62a_100000039644_100103147603 [0,1,0,0,0,0|2,0,1]=4 2169 B10R0.71 C=COCCSC/C=C\CC 62a_100103147603_100000039644 [0,1,0,0,0,0|2,0,1]=4 2170 B10R0.71 CC#CCCOC/C=C\CC 34a_100000750427_100103147603 [0,1,0,0,0,0|1,0,2]=4 2171 B10R0.71 CC#CCCOCCCCO 34a_100000750427_100011216708 [0,1,0,0,0,0|0,0,3]=4 2172 B10R0.71 CC#CCNCC/C=C\CC 2230a_100000685387_100015370543 [0,1,0,0,0,0|1,0,2]=4 2173 B10R0.71 CC#CCNCC/C=C\CC 34a_100000685387_100015370543 [0,1,0,0,0,0|1,0,2]=4 2174 B10R0.71 CC#CCNCCCCCO 2230a_100000685387_100000746330 [0,1,0,0,0,0|0,0,3]=4 2175 B10R0.71 CC#CCNCCCCCO 2230a_100000762737_100000748600 [0,1,0,0,0,0|0,0,3]=4 2176 B10R0.71 CC#CCNCCCCCO 34a_100000685387_100000746330 [0,1,0,0,0,0|0,0,3]=4 2177 B10R0.71 CC#CCNCCCCCO 34a_100000762737_100000748600 [0,1,0,0,0,0|0,0,3]=4 2178 B10R0.71 CC#CCOCC/C=C\CC 34a_100000761923_100015370543 [0,1,0,0,0,0|1,0,2]=4 2179 B10R0.71 CC#CCOCC/C=C\CC 34a_100016288707_100000748600 [0,1,0,0,0,0|1,0,2]=4 2180 B10R0.71 CC#CCOCC/C=C\CC 7a_100016288707_100000748600 [0,1,0,0,0,0|1,0,2]=4 2181 B10R0.71 CC#CCOCCCCCO 34a_100000761923_100000746330 [0,1,0,0,0,0|0,0,3]=4 2182 B10R0.71 CC#CCSCC/C=C\CC 62a_100000748600_100015370543 [0,1,0,0,0,0|1,0,2]=4 2183 B10R0.71 CC#CCSCC/C=C\CC 62a_100015370543_100000748600 [0,1,0,0,0,0|1,0,2]=4 2184 B10R0.71 CC#CCSCCCCCO 62a_100000746330_100000748600 [0,1,0,0,0,0|0,0,3]=4 2185 B10R0.71 CC#CCSCCCCCO 62a_100000748600_100000746330 [0,1,0,0,0,0|0,0,3]=4 2186 B10R0.71 CC/C=C/C/C=C/CCOC 34a_200016273837_200000210301 [0,1,0,0,0,0|0,0,2]=3 2187 B10R0.71 CC/C=C/C/C=C/CCOC 7a_200016273837_200000210301 [0,1,0,0,0,0|0,0,2]=3 2188 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 34a_200016273837_200025704644 [0,1,0,0,0,0|0,0,2]=3 2189 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 7a_200016273837_200025704644 [0,1,0,0,0,0|0,0,2]=3 2190 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [0,1,0,0,0,0|0,0,2]=3 2191 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [0,1,0,0,0,0|0,0,2]=3 2192 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [0,1,0,0,0,0|0,0,2]=3 2193 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [0,1,0,0,0,0|0,0,2]=3 2194 B10R0.71 CC/C=C/CCCOCC#N 7a_100016287902_100011215382 [0,1,0,0,0,0|1,0,1]=3 2195 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,1,0,0,0,0|0,0,2]=3 2196 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,1,0,0,0,0|0,0,2]=3 2197 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,1,0,0,0,0|1,0,0]=2 2198 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,1,0,0,0,0|1,0,0]=2 2199 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [0,1,0,0,0,0|1,0,0]=2 2200 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [0,1,0,0,0,0|1,0,0]=2 2201 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [0,1,0,0,0,0|0,0,0]=1 2202 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [0,1,0,0,0,0|0,0,0]=1 2203 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [0,1,0,0,0,0|1,1,0]=3 2204 B10R0.71 CC/C=C\CCC=NNCC 4a_100000756455_100016279218 [0,1,0,0,0,0|2,0,1]=4 2205 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,1,0,0,0,0|1,0,0]=2 2206 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,1,0,0,0,0|0,0,0]=1 2207 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,1,0,0,0,0|0,0,0]=1 2208 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,1,0,0,0,0|0,0,0]=1 2209 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,1,0,0,0,0|0,0,0]=1 2210 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,1,0,0,0,0|1,0,0]=2 2211 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,1,0,0,0,0|1,0,0]=2 2212 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [0,1,0,0,0,0|1,0,0]=2 2213 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [0,1,0,0,0,0|1,0,0]=2 2214 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,1,0,0,0,0|1,0,0]=2 2215 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,1,0,0,0,0|1,0,0]=2 2216 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [0,1,0,0,0,0|1,0,0]=2 2217 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [0,1,0,0,0,0|1,0,0]=2 2218 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [0,1,0,0,0,0|1,0,0]=2 2219 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [0,1,0,0,0,0|1,1,0]=3 2220 B10R0.71 CC/C=C\CCOCCC#N 7a_100016288707_100000184422 [0,1,0,0,0,0|1,0,1]=3 2221 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [0,1,0,0,0,0|1,0,0]=2 2222 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,1,0,0,0,0|1,0,0]=2 2223 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,1,0,0,0,0|1,0,0]=2 2224 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,1,0,0,0,0|1,0,0]=2 2225 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,1,0,0,0,0|1,0,0]=2 2226 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [0,1,0,0,0,0|1,0,0]=2 2227 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [0,1,0,0,0,0|1,0,0]=2 2228 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [0,1,0,0,0,0|1,0,0]=2 2229 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [0,1,0,0,0,0|1,0,0]=2 2230 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [0,1,0,0,0,0|1,0,0]=2 2231 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,1,0,0,0,0|0,0,0]=1 2232 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,1,0,0,0,0|0,0,0]=1 2233 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [0,1,0,0,0,0|1,0,0]=2 2234 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [0,1,0,0,0,0|1,0,0]=2 2235 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [0,1,0,0,0,0|1,0,0]=2 2236 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [0,1,0,0,0,0|1,0,0]=2 2237 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [0,1,0,0,0,0|1,1,0]=3 2238 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [0,1,0,0,0,0|1,1,0]=3 2239 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [0,1,0,0,0,0|1,1,0]=3 2240 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [0,1,0,0,0,0|1,1,0]=3 2241 B10R0.71 CC/C=C\CCSCCC#N 62a_100011215226_100015370543 [0,1,0,0,0,0|1,0,1]=3 2242 B10R0.71 CC/C=C\CCSCCC#N 62a_100015370543_100011215226 [0,1,0,0,0,0|1,0,1]=3 2243 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,1,0,0,0,0|1,0,0]=2 2244 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,1,0,0,0,0|1,0,0]=2 2245 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [0,1,0,0,0,0|1,0,0]=2 2246 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [0,1,0,0,0,0|1,0,0]=2 2247 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [0,1,0,0,0,0|0,0,0]=1 2248 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [0,1,0,0,0,0|0,0,0]=1 2249 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [0,1,0,0,0,0|1,0,0]=2 2250 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [0,1,0,0,0,0|1,0,0]=2 2251 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [0,1,0,0,0,0|1,1,0]=3 2252 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [0,1,0,0,0,0|1,1,0]=3 2253 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [0,1,0,0,0,0|2,0,0]=3 2254 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [0,1,0,0,0,0|2,0,0]=3 2255 B10R0.71 CC/C=C\CCSCSC#N 62a_100000211825_100015370543 [0,1,0,0,0,0|2,0,1]=4 2256 B10R0.71 CC/C=C\CCSCSC#N 62a_100015370543_100000211825 [0,1,0,0,0,0|2,0,1]=4 2257 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,1,0,0,0,0|1,0,0]=2 2258 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [0,1,0,0,0,0|0,0,0]=1 2259 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [0,1,0,0,0,0|0,0,0]=1 2260 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [0,1,0,0,0,0|1,0,0]=2 2261 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [0,1,0,0,0,0|1,1,0]=3 2262 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [0,1,0,0,0,0|2,0,0]=3 2263 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [0,1,0,0,0,0|2,0,0]=3 2264 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [0,1,0,0,0,0|2,0,0]=3 2265 B10R0.71 CC/C=C\COC/C=C\CC 34a_100016268518_100103147603 [0,1,0,0,0,0|1,0,2]=4 2266 B10R0.71 CC/C=C\COCC#CCCl 34a_200000047223_100103147603 [0,1,0,0,0,0|1,0,2]=4 2267 B10R0.71 CC/C=C\COCC#CCO 34a_100016268518_200000047223 [0,1,0,0,0,0|0,0,2]=3 2268 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [0,1,0,0,0,0|1,0,0]=2 2269 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,1,0,0,0,0|1,0,0]=2 2270 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,1,0,0,0,0|1,0,0]=2 2271 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,1,0,0,0,0|1,0,0]=2 2272 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [0,1,0,0,0,0|1,0,0]=2 2273 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [0,1,0,0,0,0|1,0,0]=2 2274 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [0,1,0,0,0,0|1,0,0]=2 2275 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [0,1,0,0,0,0|1,0,0]=2 2276 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [0,1,0,0,0,0|1,0,0]=2 2277 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [0,1,0,0,0,0|1,0,0]=2 2278 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [0,1,0,0,0,0|1,0,0]=2 2279 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [0,1,0,0,0,0|0,0,0]=1 2280 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [0,1,0,0,0,0|2,0,0]=3 2281 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [0,1,0,0,0,0|1,0,0]=2 2282 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [0,1,0,0,0,0|1,0,0]=2 2283 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [0,1,0,0,0,0|1,1,0]=3 2284 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [0,1,0,0,0,0|1,1,0]=3 2285 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [0,1,0,0,0,0|2,0,0]=3 2286 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [0,1,0,0,0,0|2,0,0]=3 2287 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [0,1,0,0,0,0|2,0,0]=3 2288 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [0,1,0,0,0,0|2,0,0]=3 2289 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [0,1,0,0,0,0|2,0,0]=3 2290 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [0,1,0,0,0,0|2,0,0]=3 2291 B10R0.71 CC/C=C\CSC/C=C\CC 62a_100103147603_100103147603 [0,1,0,0,0,0|1,0,2]=4 2292 B10R0.71 CC/C=C\CSCC#CCO 62a_100103147603_200000047223 [0,1,0,0,0,0|0,0,2]=3 2293 B10R0.71 CC/C=C\CSCC#CCO 62a_200000047223_100103147603 [0,1,0,0,0,0|0,0,2]=3 2294 B10R0.71 CC/C=C\CSCCCC#N 62a_100000687738_100103147603 [0,1,0,0,0,0|1,0,1]=3 2295 B10R0.71 CC/C=C\CSCCCC#N 62a_100103147603_100000687738 [0,1,0,0,0,0|1,0,1]=3 2296 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [0,1,0,0,0,0|0,0,2]=3 2297 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [0,1,0,0,0,0|0,0,2]=3 2298 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,1,0,0,0,0|1,0,0]=2 2299 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,1,0,0,0,0|1,0,0]=2 2300 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [0,1,0,0,0,0|1,0,0]=2 2301 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [0,1,0,0,0,0|1,0,0]=2 2302 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [0,1,0,0,0,0|0,0,0]=1 2303 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [0,1,0,0,0,0|0,0,0]=1 2304 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [0,1,0,0,0,0|1,0,0]=2 2305 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [0,1,0,0,0,0|1,0,0]=2 2306 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [0,1,0,0,0,0|2,0,0]=3 2307 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [0,1,0,0,0,0|2,0,0]=3 2308 B10R0.71 CC/C=C\CSCCSC#N 62a_100000034367_100103147603 [0,1,0,0,0,0|2,0,1]=4 2309 B10R0.71 CC/C=C\CSCCSC#N 62a_100103147603_100000034367 [0,1,0,0,0,0|2,0,1]=4 2310 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [0,1,0,0,0,0|2,0,0]=3 2311 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [0,1,0,0,0,0|2,0,0]=3 2312 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [0,1,0,0,0,0|1,0,2]=4 2313 B10R0.71 CC=C=CCCOCCCF 34a_100011020354_100011934791 [0,1,0,0,0,0|1,0,2]=4 2314 B10R0.71 CC=C=CCCOCCCO 34a_100011020354_100000230001 [0,1,0,0,0,0|0,0,2]=3 2315 B10R0.71 CC=C=CCCOCCOC 34a_100011020354_100011201679 [0,1,0,0,0,0|1,0,2]=4 2316 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,1,0,0,0,0|1,0,2]=4 2317 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,1,0,0,0,0|1,0,2]=4 2318 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,1,0,0,0,0|0,0,2]=3 2319 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,1,0,0,0,0|1,0,2]=4 2320 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,1,0,0,0,0|1,0,2]=4 2321 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,1,0,0,0,0|0,0,2]=3 2322 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,1,0,0,0,0|0,0,2]=3 2323 B10R0.71 CC=CCNCCOCCO 2230a_100000211614_100000070051 [0,1,0,0,0,0|1,0,2]=4 2324 B10R0.71 CC=CCNCCOCCO 34a_100000211614_100000070051 [0,1,0,0,0,0|1,0,2]=4 2325 B10R0.71 CC=CCNCCSCCO 2230a_100011219999_100000070051 [0,1,0,0,0,0|1,0,2]=4 2326 B10R0.71 CC=CCOCC/C=C\CC 34a_100016288707_100000070051 [0,1,0,0,0,0|1,0,2]=4 2327 B10R0.71 CC=CCOCC/C=C\CC 7a_100016288707_100000070051 [0,1,0,0,0,0|1,0,2]=4 2328 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,1,0,0,0,0|1,0,2]=4 2329 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,1,0,0,0,0|1,0,2]=4 2330 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,1,0,0,0,0|1,0,2]=4 2331 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,1,0,0,0,0|1,0,2]=4 2332 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,1,0,0,0,0|1,0,2]=4 2333 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,1,0,0,0,0|1,0,2]=4 2334 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,1,0,0,0,0|1,0,2]=4 2335 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,1,0,0,0,0|1,0,2]=4 2336 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,1,0,0,0,0|1,0,2]=4 2337 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,1,0,0,0,0|1,0,2]=4 2338 B10R0.71 CC=CCSCC/C=C\CC 62a_100000070051_100015370543 [0,1,0,0,0,0|1,0,2]=4 2339 B10R0.71 CC=CCSCC/C=C\CC 62a_100015370543_100000070051 [0,1,0,0,0,0|1,0,2]=4 2340 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,1,0,0,0,0|1,0,2]=4 2341 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,1,0,0,0,0|1,0,2]=4 2342 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,1,0,0,0,0|1,0,2]=4 2343 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,1,0,0,0,0|1,0,2]=4 2344 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,1,0,0,0,0|0,0,2]=3 2345 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,1,0,0,0,0|0,0,2]=3 2346 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,1,0,0,0,0|1,0,2]=4 2347 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,1,0,0,0,0|1,0,2]=4 2348 B10R0.71 CC=CCSCCOCCO 62a_100000070051_100011215305 [0,1,0,0,0,0|1,0,2]=4 2349 B10R0.71 CC=CCSCCOCCO 62a_100011215305_100000070051 [0,1,0,0,0,0|1,0,2]=4 2350 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [0,1,0,0,0,0|1,0,2]=4 2351 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [0,1,0,0,0,0|1,0,2]=4 2352 B10R0.71 CCC#CCCOCCCF 34a_100000036655_100011934791 [0,1,0,0,0,0|1,0,2]=4 2353 B10R0.71 CCC#CCCOCCCF 7a_100000036655_100011934791 [0,1,0,0,0,0|1,0,2]=4 2354 B10R0.71 CCC#CCCOCCCO 34a_100000036655_100000230001 [0,1,0,0,0,0|0,0,2]=3 2355 B10R0.71 CCC#CCCOCCCO 7a_100000036655_100011215043 [0,1,0,0,0,0|0,0,2]=3 2356 B10R0.71 CCC#CCCOCCOC 34a_100000036655_100011201679 [0,1,0,0,0,0|1,0,2]=4 2357 B10R0.71 CCC#CCCOCCOC 7a_100000036655_100000233755 [0,1,0,0,0,0|1,0,2]=4 2358 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [0,1,0,0,0,0|1,0,2]=4 2359 B10R0.71 CCC#CCNCCCCO 2230a_100000750430_100009813939 [0,1,0,0,0,0|0,0,2]=3 2360 B10R0.71 CCC#CCNCCCCO 34a_100000750430_100009813939 [0,1,0,0,0,0|0,0,2]=3 2361 B10R0.71 CCC#CCNCCCOC 34a_100150723488_100009813939 [0,1,0,0,0,0|1,0,2]=4 2362 B10R0.71 CCC#CCOC/C=C\CC 34a_100000032950_100103147603 [0,1,0,0,0,0|1,0,2]=4 2363 B10R0.71 CCC#CCOC/C=C\CC 34a_100016268518_100009813939 [0,1,0,0,0,0|1,0,2]=4 2364 B10R0.71 CCC#CCOCCCCBr 34a_100011216708_100009813939 [0,1,0,0,0,0|1,0,2]=4 2365 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [0,1,0,0,0,0|1,0,2]=4 2366 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [0,1,0,0,0,0|1,0,2]=4 2367 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [0,1,0,0,0,0|1,0,2]=4 2368 B10R0.71 CCC#CCOCCCCCl 34a_100000210776_100009813939 [0,1,0,0,0,0|1,0,2]=4 2369 B10R0.71 CCC#CCOCCCCCl 7a_100000210776_100009813939 [0,1,0,0,0,0|1,0,2]=4 2370 B10R0.71 CCC#CCOCCCCF 34a_100000032950_100000729493 [0,1,0,0,0,0|1,0,2]=4 2371 B10R0.71 CCC#CCOCCCCF 34a_100011995726_100009813939 [0,1,0,0,0,0|1,0,2]=4 2372 B10R0.71 CCC#CCOCCCCF 7a_100011995726_100009813939 [0,1,0,0,0,0|1,0,2]=4 2373 B10R0.71 CCC#CCOCCCCI 34a_200012148704_100009813939 [0,1,0,0,0,0|1,0,2]=4 2374 B10R0.71 CCC#CCOCCCCN 34a_100000750430_100009813939 [0,1,0,0,0,0|1,0,2]=4 2375 B10R0.71 CCC#CCOCCCCO 34a_100000032950_100011216708 [0,1,0,0,0,0|0,0,2]=3 2376 B10R0.71 CCC#CCOCCCOC 34a_100000032950_100000740836 [0,1,0,0,0,0|1,0,2]=4 2377 B10R0.71 CCC#CCOCCCOC 34a_100000740835_100009813939 [0,1,0,0,0,0|1,0,2]=4 2378 B10R0.71 CCC#CCSC/C=C\CC 62a_100009813939_100103147603 [0,1,0,0,0,0|1,0,2]=4 2379 B10R0.71 CCC#CCSC/C=C\CC 62a_100103147603_100009813939 [0,1,0,0,0,0|1,0,2]=4 2380 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [0,1,0,0,0,0|1,0,2]=4 2381 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [0,1,0,0,0,0|1,0,2]=4 2382 B10R0.71 CCC#CCSCCCCF 62a_100000729493_100009813939 [0,1,0,0,0,0|1,0,2]=4 2383 B10R0.71 CCC#CCSCCCCF 62a_100009813939_100000729493 [0,1,0,0,0,0|1,0,2]=4 2384 B10R0.71 CCC#CCSCCCCO 62a_100000210776_100009813939 [0,1,0,0,0,0|0,0,2]=3 2385 B10R0.71 CCC#CCSCCCCO 62a_100009813939_100000210776 [0,1,0,0,0,0|0,0,2]=3 2386 B10R0.71 CCC#CCSCCCOC 62a_100000709357_100009813939 [0,1,0,0,0,0|1,0,2]=4 2387 B10R0.71 CCC#CCSCCCOC 62a_100009813939_100000709357 [0,1,0,0,0,0|1,0,2]=4 2388 B10R0.71 CCC/C=C/COCCC#N 7a_100016278788_100000184422 [0,1,0,0,0,0|2,0,1]=4 2389 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,1,0,0,0,0|2,0,0]=3 2390 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,1,0,0,0,0|2,0,0]=3 2391 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [0,1,0,0,0,0|2,0,0]=3 2392 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [0,1,0,0,0,0|2,0,0]=3 2393 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,1,0,0,0,0|1,0,0]=2 2394 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,1,0,0,0,0|1,0,0]=2 2395 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,1,0,0,0,0|1,0,2]=4 2396 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,1,0,0,0,0|1,0,2]=4 2397 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [0,1,0,0,0,0|3,0,0]=4 2398 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [0,1,0,0,0,0|3,0,0]=4 2399 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [0,1,0,0,0,0|2,0,1]=4 2400 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [0,1,0,0,0,0|0,0,3]=4 2401 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [0,1,0,0,0,0|0,0,3]=4 2402 B10R0.71 CCCC#CCOCCCO 34a_100000034806_100000230001 [0,1,0,0,0,0|0,0,3]=4 2403 B10R0.71 CCCC#CCOCCCO 7a_100000034806_100011215043 [0,1,0,0,0,0|0,0,3]=4 2404 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,1,0,0,0,0|1,0,2]=4 2405 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,1,0,0,0,0|1,0,2]=4 2406 B10R0.71 CCCC=CC=NNCCO 4a_100000210001_100016266791 [0,1,0,0,0,0|2,0,1]=4 2407 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [0,1,0,0,0,0|2,0,1]=4 2408 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,1,0,0,0,0|1,0,2]=4 2409 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,1,0,0,0,0|1,0,2]=4 2410 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,1,0,0,0,0|1,0,2]=4 2411 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,1,0,0,0,0|1,0,2]=4 2412 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,1,0,0,0,0|1,0,2]=4 2413 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,1,0,0,0,0|1,0,2]=4 2414 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,1,0,0,0,0|1,0,0]=2 2415 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,1,0,0,0,0|1,0,0]=2 2416 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,1,0,0,0,0|1,0,0]=2 2417 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,1,0,0,0,0|1,0,0]=2 2418 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,1,0,0,0,0|1,0,2]=4 2419 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,1,0,0,0,0|1,0,2]=4 2420 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,1,0,0,0,0|1,0,2]=4 2421 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,1,0,0,0,0|1,0,2]=4 2422 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,1,0,0,0,0|2,0,0]=3 2423 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,1,0,0,0,0|1,0,2]=4 2424 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,1,0,0,0,0|1,0,2]=4 2425 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,1,0,0,0,0|1,0,2]=4 2426 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,1,0,0,0,0|1,0,2]=4 2427 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,1,0,0,0,0|1,0,2]=4 2428 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,1,0,0,0,0|1,0,2]=4 2429 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,1,0,0,0,0|1,0,2]=4 2430 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,1,0,0,0,0|0,0,2]=3 2431 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,1,0,0,0,0|0,0,2]=3 2432 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,1,0,0,0,0|0,0,2]=3 2433 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,1,0,0,0,0|0,0,2]=3 2434 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,1,0,0,0,0|0,0,2]=3 2435 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,1,0,0,0,0|0,1,2]=4 2436 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,1,0,0,0,0|0,1,2]=4 2437 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,1,0,0,0,0|1,0,2]=4 2438 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,1,0,0,0,0|1,0,2]=4 2439 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,1,0,0,0,0|1,0,2]=4 2440 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,1,0,0,0,0|1,0,2]=4 2441 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,1,0,0,0,0|1,0,2]=4 2442 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,1,0,0,0,0|1,0,2]=4 2443 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,1,0,0,0,0|1,0,2]=4 2444 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,1,0,0,0,0|1,0,2]=4 2445 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,1,0,0,0,0|1,0,2]=4 2446 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,1,0,0,0,0|1,0,2]=4 2447 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,1,0,0,0,0|1,0,2]=4 2448 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,1,0,0,0,0|1,0,2]=4 2449 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,1,0,0,0,0|1,0,2]=4 2450 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,1,0,0,0,0|1,0,2]=4 2451 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,1,0,0,0,0|1,0,2]=4 2452 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,1,0,0,0,0|1,0,2]=4 2453 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,1,0,0,0,0|0,0,2]=3 2454 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,1,0,0,0,0|0,0,2]=3 2455 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,1,0,0,0,0|0,0,2]=3 2456 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,1,0,0,0,0|1,0,2]=4 2457 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,1,0,0,0,0|2,0,1]=4 2458 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,1,0,0,0,0|1,0,2]=4 2459 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,1,0,0,0,0|1,0,2]=4 2460 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,1,0,0,0,0|1,0,2]=4 2461 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,1,0,0,0,0|1,0,2]=4 2462 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,1,0,0,0,0|1,0,2]=4 2463 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,1,0,0,0,0|1,0,2]=4 2464 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,1,0,0,0,0|1,0,2]=4 2465 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,1,0,0,0,0|0,0,2]=3 2466 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,1,0,0,0,0|0,0,2]=3 2467 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,1,0,0,0,0|2,0,1]=4 2468 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,1,0,0,0,0|1,0,2]=4 2469 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,1,0,0,0,0|1,0,2]=4 2470 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,1,0,0,0,0|1,0,2]=4 2471 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,1,0,0,0,0|1,0,2]=4 2472 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,1,0,0,0,0|0,0,2]=3 2473 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,1,0,0,0,0|0,0,2]=3 2474 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,1,0,0,0,0|1,0,2]=4 2475 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,1,0,0,0,0|1,0,2]=4 2476 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,1,0,0,0,0|2,0,1]=4 2477 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,1,0,0,0,0|2,0,1]=4 2478 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,1,0,0,0,0|1,0,2]=4 2479 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,1,0,0,0,0|1,0,2]=4 2480 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,1,0,0,0,0|1,0,2]=4 2481 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,1,0,0,0,0|1,0,2]=4 2482 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,1,0,0,0,0|1,0,2]=4 2483 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,1,0,0,0,0|1,0,2]=4 2484 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,1,0,0,0,0|0,0,2]=3 2485 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,1,0,0,0,0|1,0,2]=4 2486 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,1,0,0,0,0|1,0,2]=4 2487 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,1,0,0,0,0|2,0,1]=4 2488 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,1,0,0,0,0|2,0,1]=4 2489 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,1,0,0,0,0|1,0,2]=4 2490 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,1,0,0,0,0|1,0,2]=4 2491 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,1,0,0,0,0|1,0,2]=4 2492 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,1,0,0,0,0|1,0,2]=4 2493 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,1,0,0,0,0|1,0,2]=4 2494 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,1,0,0,0,0|1,0,2]=4 2495 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,1,0,0,0,0|1,0,2]=4 2496 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,1,0,0,0,0|1,0,2]=4 2497 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,1,0,0,0,0|1,0,2]=4 2498 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,1,0,0,0,0|1,0,2]=4 2499 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,1,0,0,0,0|0,0,2]=3 2500 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,1,0,0,0,0|0,0,2]=3 2501 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,1,0,0,0,0|1,0,2]=4 2502 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,1,0,0,0,0|1,0,2]=4 2503 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,1,0,0,0,0|1,0,2]=4 2504 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,1,0,0,0,0|1,0,2]=4 2505 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,1,0,0,0,0|1,0,2]=4 2506 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,1,0,0,0,0|1,0,2]=4 2507 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,1,0,0,0,0|1,0,2]=4 2508 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,1,0,0,0,0|1,0,2]=4 2509 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,1,0,0,0,0|2,0,1]=4 2510 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,1,0,0,0,0|2,0,1]=4 2511 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,1,0,0,0,0|2,0,1]=4 2512 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,1,0,0,0,0|2,0,1]=4 2513 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,1,0,0,0,0|1,0,2]=4 2514 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,1,0,0,0,0|1,0,2]=4 2515 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,1,0,0,0,0|1,0,2]=4 2516 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,1,0,0,0,0|1,0,2]=4 2517 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,1,0,0,0,0|0,0,2]=3 2518 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,1,0,0,0,0|0,0,2]=3 2519 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,1,0,0,0,0|1,0,2]=4 2520 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,1,0,0,0,0|1,0,2]=4 2521 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,1,0,0,0,0|2,0,1]=4 2522 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,1,0,0,0,0|2,0,1]=4 2523 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,1,0,0,0,0|2,0,1]=4 2524 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,1,0,0,0,0|2,0,1]=4 2525 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,1,0,0,0,0|1,0,2]=4 2526 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,1,0,0,0,0|1,0,2]=4 2527 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,1,0,0,0,0|0,0,2]=3 2528 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,1,0,0,0,0|0,0,2]=3 2529 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,1,0,0,0,0|0,0,2]=3 2530 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,1,0,0,0,0|1,0,2]=4 2531 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,1,0,0,0,0|1,0,2]=4 2532 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,1,0,0,0,0|2,0,1]=4 2533 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,1,0,0,0,0|2,0,1]=4 2534 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,1,0,0,0,0|2,0,1]=4 2535 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,1,0,0,0,0|2,0,1]=4 2536 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,1,0,0,0,0|2,0,1]=4 2537 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,1,0,0,0,0|2,0,1]=4 2538 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,1,0,0,0,0|1,0,2]=4 2539 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,1,0,0,0,0|1,0,2]=4 2540 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,1,0,0,0,0|1,0,2]=4 2541 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,1,0,0,0,0|1,0,2]=4 2542 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,1,0,0,0,0|1,0,2]=4 2543 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,1,0,0,0,0|1,0,2]=4 2544 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,1,0,0,0,0|1,0,2]=4 2545 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,1,0,0,0,0|1,0,2]=4 2546 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,1,0,0,0,0|1,0,2]=4 2547 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,1,0,0,0,0|1,0,2]=4 2548 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,1,0,0,0,0|1,0,2]=4 2549 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,1,0,0,0,0|0,0,2]=3 2550 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,1,0,0,0,0|0,0,2]=3 2551 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,1,0,0,0,0|1,0,2]=4 2552 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,1,0,0,0,0|1,0,2]=4 2553 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,1,0,0,0,0|1,0,2]=4 2554 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,1,0,0,0,0|2,0,1]=4 2555 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,1,0,0,0,0|2,0,1]=4 2556 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,1,0,0,0,0|2,0,1]=4 2557 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,1,0,0,0,0|2,0,1]=4 2558 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,1,0,0,0,0|2,0,1]=4 2559 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,1,0,0,0,0|2,0,1]=4 2560 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,1,0,0,0,0|2,0,1]=4 2561 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,1,0,0,0,0|2,0,1]=4 2562 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,1,0,0,0,0|2,0,1]=4 2563 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,1,0,0,0,0|2,0,1]=4 2564 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,1,0,0,0,0|1,0,2]=4 2565 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,1,0,0,0,0|1,0,2]=4 2566 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,1,0,0,0,0|1,0,2]=4 2567 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,1,0,0,0,0|0,0,2]=3 2568 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,1,0,0,0,0|0,0,2]=3 2569 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,1,0,0,0,0|1,0,2]=4 2570 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,1,0,0,0,0|1,0,2]=4 2571 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,1,0,0,0,0|2,0,1]=4 2572 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,1,0,0,0,0|2,0,1]=4 2573 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,1,0,0,0,0|2,0,1]=4 2574 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,1,0,0,0,0|2,0,1]=4 2575 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,1,0,0,0,0|1,0,2]=4 2576 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,1,0,0,0,0|1,0,2]=4 2577 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,1,0,0,0,0|0,0,2]=3 2578 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,1,0,0,0,0|0,0,2]=3 2579 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,1,0,0,0,0|0,0,2]=3 2580 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,1,0,0,0,0|0,0,2]=3 2581 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,1,0,0,0,0|1,0,2]=4 2582 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,1,0,0,0,0|1,0,2]=4 2583 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,1,0,0,0,0|1,0,2]=4 2584 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,1,0,0,0,0|1,0,2]=4 2585 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,1,0,0,0,0|2,0,1]=4 2586 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,1,0,0,0,0|2,0,1]=4 2587 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,1,0,0,0,0|2,0,1]=4 2588 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,1,0,0,0,0|2,0,1]=4 2589 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,1,0,0,0,0|2,0,1]=4 2590 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,1,0,0,0,0|2,0,1]=4 2591 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,1,0,0,0,0|2,0,1]=4 2592 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,1,0,0,0,0|2,0,1]=4 2593 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,1,0,0,0,0|1,0,2]=4 2594 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,1,0,0,0,0|1,0,2]=4 2595 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,1,0,0,0,0|1,0,2]=4 2596 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,1,0,0,0,0|1,0,2]=4 2597 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,1,0,0,0,0|2,0,1]=4 2598 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,1,0,0,0,0|1,0,2]=4 2599 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,1,0,0,0,0|1,0,2]=4 2600 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,1,0,0,0,0|1,0,2]=4 2601 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,1,0,0,0,0|1,0,2]=4 2602 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,1,0,0,0,0|1,0,2]=4 2603 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,1,0,0,0,0|1,0,2]=4 2604 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,1,0,0,0,0|1,0,2]=4 2605 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,1,0,0,0,0|1,0,2]=4 2606 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,1,0,0,0,0|1,0,2]=4 2607 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,1,0,0,0,0|1,0,2]=4 2608 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,1,0,0,0,0|0,0,2]=3 2609 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,1,0,0,0,0|0,0,2]=3 2610 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,1,0,0,0,0|1,0,2]=4 2611 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,1,0,0,0,0|1,0,2]=4 2612 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,1,0,0,0,0|1,0,2]=4 2613 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,1,0,0,0,0|1,0,2]=4 2614 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,1,0,0,0,0|1,0,2]=4 2615 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,1,0,0,0,0|1,0,2]=4 2616 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,1,0,0,0,0|1,0,2]=4 2617 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,1,0,0,0,0|2,0,1]=4 2618 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,1,0,0,0,0|2,0,1]=4 2619 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,1,0,0,0,0|2,0,1]=4 2620 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,1,0,0,0,0|2,0,1]=4 2621 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,1,0,0,0,0|2,0,1]=4 2622 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,1,0,0,0,0|2,0,1]=4 2623 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,1,0,0,0,0|2,0,1]=4 2624 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,1,0,0,0,0|2,0,1]=4 2625 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,1,0,0,0,0|2,0,1]=4 2626 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,1,0,0,0,0|2,0,1]=4 2627 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,1,0,0,0,0|1,0,2]=4 2628 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,1,0,0,0,0|1,0,2]=4 2629 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,1,0,0,0,0|2,0,1]=4 2630 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,1,0,0,0,0|2,0,1]=4 2631 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,1,0,0,0,0|2,0,1]=4 2632 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,1,0,0,0,0|2,0,1]=4 2633 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,1,0,0,0,0|2,0,1]=4 2634 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,1,0,0,0,0|2,0,1]=4 2635 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,1,0,0,0,0|2,0,1]=4 2636 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,1,0,0,0,0|1,0,2]=4 2637 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,1,0,0,0,0|1,0,2]=4 2638 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,1,0,0,0,0|1,0,2]=4 2639 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,1,0,0,0,0|1,0,2]=4 2640 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,1,0,0,0,0|2,0,1]=4 2641 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,1,0,0,0,0|2,0,1]=4 2642 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,1,0,0,0,0|2,0,1]=4 2643 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,1,0,0,0,0|2,0,1]=4 2644 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,1,0,0,0,0|1,0,2]=4 2645 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,1,0,0,0,0|1,0,2]=4 2646 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,1,0,0,0,0|1,0,2]=4 2647 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,1,0,0,0,0|1,0,2]=4 2648 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,1,0,0,0,0|1,0,2]=4 2649 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,1,0,0,0,0|1,0,2]=4 2650 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,1,0,0,0,0|0,0,2]=3 2651 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,1,0,0,0,0|0,0,2]=3 2652 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,1,0,0,0,0|1,0,2]=4 2653 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,1,0,0,0,0|1,0,2]=4 2654 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,1,0,0,0,0|2,0,1]=4 2655 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,1,0,0,0,0|2,0,1]=4 2656 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,1,0,0,0,0|2,0,1]=4 2657 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,1,0,0,0,0|1,0,2]=4 2658 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,1,0,0,0,0|2,0,1]=4 2659 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,1,0,0,0,0|2,0,1]=4 2660 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,1,0,0,0,0|2,0,1]=4 2661 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,1,0,0,0,0|2,0,1]=4 2662 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,1,0,0,0,0|1,0,2]=4 2663 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,1,0,0,0,0|1,0,2]=4 2664 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,1,0,0,0,0|1,0,2]=4 2665 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,1,0,0,0,0|1,0,2]=4 2666 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,1,0,0,0,0|0,0,2]=3 2667 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,1,0,0,0,0|0,0,2]=3 2668 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,1,0,0,0,0|1,0,1]=3 2669 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,1,0,0,0,0|1,0,1]=3 2670 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,1,0,0,0,0|2,0,1]=4 2671 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,1,0,0,0,0|2,0,1]=4 2672 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,1,0,0,0,0|2,0,1]=4 2673 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,1,0,0,0,0|2,0,1]=4 2674 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [0,1,0,0,0,0|1,0,2]=4 2675 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,1,0,0,0,0|1,0,2]=4 2676 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,1,0,0,0,0|1,0,2]=4 2677 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,1,0,0,0,0|1,0,2]=4 2678 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,1,0,0,0,0|1,0,2]=4 2679 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,1,0,0,0,0|1,0,2]=4 2680 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,1,0,0,0,0|1,0,2]=4 2681 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,1,0,0,0,0|1,0,2]=4 2682 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,1,0,0,0,0|1,0,2]=4 2683 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,1,0,0,0,0|0,0,2]=3 2684 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,1,0,0,0,0|2,0,1]=4 2685 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,1,0,0,0,0|2,0,1]=4 2686 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,1,0,0,0,0|2,0,1]=4 2687 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,1,0,0,0,0|1,0,1]=3 2688 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,1,0,0,0,0|1,0,1]=3 2689 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,1,0,0,0,0|2,0,1]=4 2690 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,1,0,0,0,0|2,0,1]=4 2691 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,1,0,0,0,0|2,0,1]=4 2692 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,1,0,0,0,0|2,0,1]=4 2693 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,1,0,0,0,0|2,0,1]=4 2694 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,1,0,0,0,0|1,0,1]=3 2695 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,1,0,0,0,0|1,0,1]=3 2696 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,1,0,0,0,0|2,0,1]=4 2697 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,1,0,0,0,0|2,0,1]=4 2698 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,1,0,0,0,0|2,0,1]=4 2699 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,1,0,0,0,0|2,0,1]=4 2700 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,1,0,0,0,0|2,0,1]=4 2701 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,1,0,0,0,0|2,0,1]=4 2702 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,1,0,0,0,0|2,0,1]=4 2703 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,1,0,0,0,0|2,0,1]=4 2704 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,1,0,0,0,0|2,0,1]=4 2705 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,1,0,0,0,0|1,0,1]=3 2706 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,1,0,0,0,0|1,0,1]=3 2707 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,1,0,0,0,0|2,0,1]=4 2708 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,1,0,0,0,0|2,0,1]=4 2709 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,1,0,0,0,0|2,0,1]=4 2710 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,1,0,0,0,0|2,0,1]=4 2711 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,1,0,0,0,0|2,0,1]=4 2712 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,1,0,0,0,0|2,0,1]=4 2713 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,1,0,0,0,0|2,0,1]=4 2714 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,1,0,0,0,0|2,0,1]=4 2715 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,1,0,0,0,0|2,0,1]=4 2716 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,1,0,0,0,0|1,0,1]=3 2717 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,1,0,0,0,0|1,0,1]=3 2718 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,1,0,0,0,0|2,0,1]=4 2719 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,1,0,0,0,0|2,0,1]=4 2720 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,1,0,0,0,0|2,0,1]=4 2721 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,1,0,0,0,0|2,0,1]=4 2722 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,1,0,0,0,0|1,0,2]=4 2723 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,1,0,0,0,0|1,0,2]=4 2724 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,1,0,0,0,0|1,0,2]=4 2725 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,1,0,0,0,0|1,0,2]=4 2726 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,1,0,0,0,0|0,0,2]=3 2727 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,1,0,0,0,0|0,0,2]=3 2728 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,1,0,0,0,0|2,0,1]=4 2729 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,1,0,0,0,0|1,0,1]=3 2730 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,1,0,0,0,0|2,0,1]=4 2731 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,1,0,0,0,0|2,0,1]=4 2732 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,1,0,0,0,0|2,0,1]=4 2733 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,1,0,0,0,0|1,0,1]=3 2734 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,1,0,0,0,0|1,0,1]=3 2735 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,1,0,0,0,0|2,0,1]=4 2736 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,1,0,0,0,0|2,0,1]=4 2737 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,1,0,0,0,0|2,0,1]=4 2738 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,1,0,0,0,0|2,0,1]=4 2739 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,1,0,0,0,0|2,0,1]=4 2740 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,1,0,0,0,0|0,0,2]=3 2741 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,1,0,0,0,0|0,0,2]=3 2742 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,1,0,0,0,0|0,0,2]=3 2743 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,1,0,0,0,0|1,0,1]=3 2744 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,1,0,0,0,0|1,0,1]=3 2745 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,1,0,0,0,0|1,0,1]=3 2746 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,1,0,0,0,0|2,0,1]=4 2747 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,1,0,0,0,0|2,0,1]=4 2748 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,1,0,0,0,0|2,0,1]=4 2749 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,1,0,0,0,0|1,0,2]=4 2750 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,1,0,0,0,0|1,0,2]=4 2751 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,1,0,0,0,0|1,0,2]=4 2752 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,1,0,0,0,0|0,0,2]=3 2753 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,1,0,0,0,0|1,0,1]=3 2754 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,1,0,0,0,0|1,0,1]=3 2755 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,1,0,0,0,0|1,0,1]=3 2756 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,1,0,0,0,0|2,0,1]=4 2757 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,1,0,0,0,0|2,0,1]=4 2758 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,1,0,0,0,0|2,0,1]=4 2759 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,1,0,0,0,0|2,0,1]=4 2760 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,1,0,0,0,0|1,0,1]=3 2761 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,1,0,0,0,0|1,0,1]=3 2762 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,1,0,0,0,0|2,0,1]=4 2763 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,1,0,0,0,0|2,0,1]=4 2764 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,1,0,0,0,0|2,0,1]=4 2765 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,1,0,0,0,0|2,0,1]=4 2766 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,1,0,0,0,0|2,0,1]=4 2767 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,1,0,0,0,0|2,0,1]=4 2768 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,1,0,0,0,0|2,0,1]=4 2769 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,1,0,0,0,0|2,0,1]=4 2770 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,1,0,0,0,0|2,0,1]=4 2771 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,1,0,0,0,0|2,0,1]=4 2772 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,1,0,0,0,0|1,0,1]=3 2773 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,1,0,0,0,0|1,0,1]=3 2774 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,1,0,0,0,0|2,0,1]=4 2775 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,1,0,0,0,0|2,0,1]=4 2776 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,1,0,0,0,0|2,0,1]=4 2777 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,1,0,0,0,0|2,0,1]=4 2778 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,1,0,0,0,0|2,0,1]=4 2779 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,1,0,0,0,0|2,0,1]=4 2780 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,1,0,0,0,0|2,0,1]=4 2781 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,1,0,0,0,0|1,0,1]=3 2782 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,1,0,0,0,0|1,0,1]=3 2783 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,1,0,0,0,0|2,0,1]=4 2784 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,1,0,0,0,0|2,0,1]=4 2785 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,1,0,0,0,0|2,0,1]=4 2786 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,1,0,0,0,0|2,0,1]=4 2787 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,1,0,0,0,0|1,0,1]=3 2788 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,1,0,0,0,0|1,0,1]=3 2789 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,1,0,0,0,0|1,0,1]=3 2790 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,1,0,0,0,0|1,0,1]=3 2791 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,1,0,0,0,0|2,0,1]=4 2792 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,1,0,0,0,0|2,0,1]=4 2793 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,1,0,0,0,0|2,0,1]=4 2794 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,1,0,0,0,0|2,0,1]=4 2795 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,1,0,0,0,0|2,0,1]=4 2796 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,1,0,0,0,0|2,0,1]=4 2797 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,1,0,0,0,0|2,0,1]=4 2798 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,1,0,0,0,0|2,0,1]=4 2799 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,1,0,0,0,0|2,0,1]=4 2800 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,1,0,0,0,0|2,0,1]=4 2801 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,1,0,0,0,0|2,0,1]=4 2802 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,1,0,0,0,0|2,0,1]=4 2803 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,1,0,0,0,0|1,0,1]=3 2804 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,1,0,0,0,0|1,0,1]=3 2805 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,1,0,0,0,0|2,0,1]=4 2806 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,1,0,0,0,0|2,0,1]=4 2807 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,1,0,0,0,0|2,0,1]=4 2808 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,1,0,0,0,0|2,0,1]=4 2809 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,1,0,0,0,0|2,0,1]=4 2810 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,1,0,0,0,0|1,0,1]=3 2811 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,1,0,0,0,0|1,0,1]=3 2812 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,1,0,0,0,0|2,0,1]=4 2813 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,1,0,0,0,0|2,0,1]=4 2814 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,1,0,0,0,0|2,0,1]=4 2815 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,1,0,0,0,0|2,0,1]=4 2816 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,1,0,0,0,0|1,0,1]=3 2817 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,1,0,0,0,0|1,0,1]=3 2818 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,1,0,0,0,0|2,0,1]=4 2819 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,1,0,0,0,0|2,0,1]=4 2820 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [0,1,0,0,0,0|2,0,1]=4 2821 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [0,1,0,0,0,0|2,0,1]=4 2822 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,1,0,0,0,0|2,0,1]=4 2823 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,1,0,0,0,0|2,0,1]=4 2824 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,1,0,0,0,0|0,0,2]=3 2825 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,1,0,0,0,0|0,0,2]=3 2826 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,1,0,0,0,0|1,0,1]=3 2827 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,1,0,0,0,0|1,0,1]=3 2828 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,1,0,0,0,0|2,0,1]=4 2829 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,1,0,0,0,0|2,0,1]=4 2830 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,1,0,0,0,0|1,0,1]=3 2831 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,1,0,0,0,0|1,0,1]=3 2832 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,1,0,0,0,0|2,0,1]=4 2833 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,1,0,0,0,0|2,0,1]=4 2834 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,1,0,0,0,0|2,0,1]=4 2835 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,1,0,0,0,0|2,0,1]=4 2836 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [0,1,0,0,0,0|2,0,1]=4 2837 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,1,0,0,0,0|1,0,1]=3 2838 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,1,0,0,0,0|1,0,1]=3 2839 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,1,0,0,0,0|1,0,1]=3 2840 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,1,0,0,0,0|2,0,1]=4 2841 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,1,0,0,0,0|2,0,1]=4 2842 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,1,0,0,0,0|2,0,1]=4 2843 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,1,0,0,0,0|2,0,1]=4 2844 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,1,0,0,0,0|2,0,1]=4 2845 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,1,0,0,0,0|2,0,1]=4 2846 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,1,0,0,0,0|2,0,1]=4 2847 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,1,0,0,0,0|2,0,1]=4 2848 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,1,0,0,0,0|2,0,1]=4 2849 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,1,0,0,0,0|2,0,1]=4 2850 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,1,0,0,0,0|1,0,1]=3 2852 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,1,0,0,0,0|1,0,1]=3 2853 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,1,0,0,0,0|2,0,1]=4 2854 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,1,0,0,0,0|2,0,1]=4 2855 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,1,0,0,0,0|2,0,1]=4 2856 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [0,1,0,0,0,0|2,0,1]=4 2857 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [0,1,0,0,0,0|2,0,1]=4 2858 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,1,0,0,0,0|1,0,1]=3 2859 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,1,0,0,0,0|1,0,1]=3 2860 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,1,0,0,0,0|2,0,1]=4 2861 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,1,0,0,0,0|2,0,1]=4 2862 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,1,0,0,0,0|0,0,2]=3 2863 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,1,0,0,0,0|0,0,2]=3 2864 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,1,0,0,0,0|0,0,2]=3 2865 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,1,0,0,0,0|0,0,2]=3 2866 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,1,0,0,0,0|0,0,2]=3 2867 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,1,0,0,0,0|1,0,2]=4 2868 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,1,0,0,0,0|1,0,2]=4 2869 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,1,0,0,0,0|2,0,1]=4 2871 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,1,0,0,0,0|2,0,1]=4 2872 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,1,0,0,0,0|2,0,1]=4 2873 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,1,0,0,0,0|2,0,1]=4 2874 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,1,0,0,0,0|2,0,1]=4 2875 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,1,0,0,0,0|1,0,2]=4 2876 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,1,0,0,0,0|1,0,2]=4 2877 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,1,0,0,0,0|1,0,2]=4 2878 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,1,0,0,0,0|1,0,2]=4 2879 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,1,0,0,0,0|1,0,2]=4 2880 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,1,0,0,0,0|0,0,2]=3 2881 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,1,0,0,0,0|2,0,1]=4 2882 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,1,0,0,0,0|2,0,1]=4 2883 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,1,0,0,0,0|2,0,1]=4 2884 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,1,0,0,0,0|2,0,1]=4 2885 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,1,0,0,0,0|2,0,1]=4 2886 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,1,0,0,0,0|2,0,1]=4 2887 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,1,0,0,0,0|2,0,1]=4 2888 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,1,0,0,0,0|1,0,2]=4 2889 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,1,0,0,0,0|1,0,2]=4 2890 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,1,0,0,0,0|2,0,1]=4 2891 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,1,0,0,0,0|2,0,1]=4 2892 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,1,0,0,0,0|2,0,1]=4 2893 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,1,0,0,0,0|1,0,2]=4 2894 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,1,0,0,0,0|1,0,2]=4 2895 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,1,0,0,0,0|1,0,2]=4 2896 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,1,0,0,0,0|1,0,2]=4 2897 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,1,0,0,0,0|1,0,2]=4 2898 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,1,0,0,0,0|1,0,2]=4 2899 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,1,0,0,0,0|1,0,2]=4 2900 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,1,0,0,0,0|1,0,2]=4 2901 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,1,0,0,0,0|1,0,2]=4 2902 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,1,0,0,0,0|2,0,1]=4 2903 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,1,0,0,0,0|1,0,1]=3 2904 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,1,0,0,0,0|1,0,1]=3 2905 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,1,0,0,0,0|1,0,1]=3 2906 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,1,0,0,0,0|2,0,1]=4 2907 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,1,0,0,0,0|2,0,1]=4 2908 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,1,0,0,0,0|2,0,1]=4 2909 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,1,0,0,0,0|2,0,1]=4 2910 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,1,0,0,0,0|2,0,1]=4 2911 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,1,0,0,0,0|2,0,1]=4 2912 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,1,0,0,0,0|2,0,1]=4 2913 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,1,0,0,0,0|2,0,1]=4 2914 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,1,0,0,0,0|2,0,1]=4 2915 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,1,0,0,0,0|2,0,1]=4 2916 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,1,0,0,0,0|2,0,1]=4 2917 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,1,0,0,0,0|2,0,1]=4 2918 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,1,0,0,0,0|1,0,1]=3 2919 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,1,0,0,0,0|2,0,1]=4 2920 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,1,0,0,0,0|2,0,1]=4 2921 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,1,0,0,0,0|2,0,1]=4 2922 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,1,0,0,0,0|2,0,1]=4 2923 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,1,0,0,0,0|2,0,1]=4 2924 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,1,0,0,0,0|2,0,1]=4 2925 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,1,0,0,0,0|2,0,1]=4 2926 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,1,0,0,0,0|2,0,1]=4 2927 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,1,0,0,0,0|2,0,1]=4 2928 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,1,0,0,0,0|2,0,1]=4 2929 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [0,1,0,0,0,0|2,0,1]=4 2930 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [0,1,0,0,0,0|2,0,1]=4 2931 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,1,0,0,0,0|2,0,1]=4 2932 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,1,0,0,0,0|2,0,1]=4 2933 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,1,0,0,0,0|1,0,1]=3 2934 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,1,0,0,0,0|1,0,1]=3 2935 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,1,0,0,0,0|2,0,1]=4 2936 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,1,0,0,0,0|2,0,1]=4 2937 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,1,0,0,0,0|1,0,1]=3 2938 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,1,0,0,0,0|2,0,1]=4 2939 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,1,0,0,0,0|2,0,1]=4 2940 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,1,0,0,0,0|1,0,1]=3 2941 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,1,0,0,0,0|1,0,1]=3 2942 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,1,0,0,0,0|0,0,2]=3 2943 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,1,0,0,0,0|0,0,2]=3 2944 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,1,0,0,0,0|1,0,2]=4 2945 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,1,0,0,0,0|1,0,2]=4 2946 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,1,0,0,0,0|1,0,2]=4 2947 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,1,0,0,0,0|1,0,2]=4 2948 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,1,0,0,0,0|1,0,2]=4 2949 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,1,0,0,0,0|2,0,1]=4 2950 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,1,0,0,0,0|1,0,1]=3 2951 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,1,0,0,0,0|1,0,1]=3 2952 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,1,0,0,0,0|1,0,1]=3 2953 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,1,0,0,0,0|2,0,1]=4 2954 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,1,0,0,0,0|2,0,1]=4 2955 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,1,0,0,0,0|2,0,1]=4 2956 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [0,1,0,0,0,0|2,0,1]=4 2957 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,1,0,0,0,0|2,0,1]=4 2958 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,1,0,0,0,0|2,0,1]=4 2959 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,1,0,0,0,0|2,0,1]=4 2960 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,1,0,0,0,0|2,0,1]=4 2961 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,1,0,0,0,0|2,0,1]=4 2962 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,1,0,0,0,0|2,0,1]=4 2963 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,1,0,0,0,0|2,0,1]=4 2964 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,1,0,0,0,0|2,0,1]=4 2965 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,1,0,0,0,0|2,0,1]=4 2966 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,1,0,0,0,0|1,0,1]=3 2967 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,1,0,0,0,0|1,0,1]=3 2968 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,1,0,0,0,0|2,0,1]=4 2969 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,1,0,0,0,0|2,0,1]=4 2970 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,1,0,0,0,0|2,0,1]=4 2971 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,1,0,0,0,0|2,0,1]=4 2972 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,1,0,0,0,0|2,0,1]=4 2973 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,1,0,0,0,0|2,0,1]=4 2974 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,1,0,0,0,0|1,0,1]=3 2975 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,1,0,0,0,0|1,0,1]=3 2976 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,1,0,0,0,0|2,0,1]=4 2977 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,1,0,0,0,0|2,0,1]=4 2978 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,1,0,0,0,0|1,0,1]=3 2979 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,1,0,0,0,0|1,0,1]=3 2980 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,1,0,0,0,0|2,0,1]=4 2981 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,1,0,0,0,0|2,0,1]=4 2982 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,1,0,0,0,0|2,0,1]=4 2983 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,1,0,0,0,0|2,0,1]=4 2984 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,1,0,0,0,0|2,0,1]=4 2985 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,1,0,0,0,0|2,0,1]=4 2986 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,1,0,0,0,0|1,0,1]=3 2987 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,1,0,0,0,0|1,0,1]=3 2988 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,1,0,0,0,0|2,0,1]=4 2989 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,1,0,0,0,0|2,0,1]=4 2990 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,1,0,0,0,0|2,0,1]=4 2991 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,1,0,0,0,0|2,0,1]=4 2992 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,1,0,0,0,0|2,0,1]=4 2993 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,1,0,0,0,0|2,0,1]=4 2994 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,1,0,0,0,0|2,0,1]=4 2995 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,1,0,0,0,0|2,0,1]=4 2996 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,1,0,0,0,0|2,0,1]=4 2997 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,1,0,0,0,0|2,0,1]=4 2998 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,1,0,0,0,0|2,0,1]=4 2999 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,1,0,0,0,0|2,0,1]=4 3000 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,1,0,0,0,0|2,0,1]=4 3001 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,1,0,0,0,0|2,0,1]=4 3002 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,1,0,0,0,0|2,0,1]=4 3003 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,1,0,0,0,0|2,0,1]=4 3004 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,1,0,0,0,0|2,0,1]=4 3005 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,1,0,0,0,0|2,0,1]=4 3006 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,1,0,0,0,0|2,0,1]=4 3007 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,1,0,0,0,0|2,0,1]=4 3008 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,1,0,0,0,0|2,0,1]=4 3009 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,1,0,0,0,0|2,0,1]=4 3010 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,1,0,0,0,0|2,0,1]=4 3011 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,1,0,0,0,0|1,0,2]=4 3012 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,1,0,0,0,0|1,0,2]=4 3013 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,1,0,0,0,0|1,0,2]=4 3014 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [0,1,0,0,0,0|1,0,2]=4 3015 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [0,1,0,0,0,0|1,0,2]=4 3016 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [0,1,0,0,0,0|1,0,2]=4 3017 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|2,0,1]=4 3018 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,2]=4 3019 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|2,0,1]=4 3020 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,2]=4 3021 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,2]=4 3022 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,1,0,0,0,0|2,0,1]=4 3023 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,1,0,0,0,0|1,0,1]=3 3024 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,1,0,0,0,0|2,0,1]=4 3025 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,1,0,0,0,0|2,0,1]=4 3026 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,1,0,0,0,0|1,0,1]=3 3027 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|2,0,1]=4 3028 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,1,0,0,0,0|2,0,1]=4 3029 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,1,0,0,0,0|1,0,2]=4 3030 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,1,0,0,0,0|1,0,2]=4 3031 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,1,0,0,0,0|1,0,2]=4 3032 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,1,0,0,0,0|1,0,2]=4 3033 B10R0.71 OCC#CCNCCCCO 2230a_100000750430_200000047223 [0,1,0,0,0,0|1,0,2]=4 3034 B10R0.71 OCC#CCNCCCCO 34a_100000750430_200000047223 [0,1,0,0,0,0|1,0,2]=4 3035 B10R0.71 OCC#CCSCCCCO 62a_100000210776_200000047223 [0,1,0,0,0,0|1,0,2]=4 3036 B10R0.71 OCC#CCSCCCCO 62a_200000047223_100000210776 [0,1,0,0,0,0|1,0,2]=4 3037 B10R0.71 OCCCCC=NNCCO 4a_100000210001_100000031955 [0,1,0,0,0,0|2,0,1]=4 3038 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,1,0,0,0,0|1,0,2]=4 3039 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,1,0,0,0,0|1,0,2]=4 3040 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,1,0,0,0,0|1,0,2]=4 3041 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,1,0,0,0,0|1,0,1]=3 3042 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|1,0,1]=3 3043 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,1,0,0,0,0|1,0,1]=3 3044 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,1,0,0,0,0|1,0,1]=3 3045 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,1,0,0,0,0|1,0,1]=3 3046 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,1]=3 3047 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,1,0,0,0,0|1,0,1]=3 3048 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,1,0,0,0,0|1,0,1]=3 3049 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,1,0,0,0,0|1,0,1]=3 3050 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,1,0,0,0,0|1,0,1]=3 3051 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,1,0,0,0,0|1,0,1]=3 3052 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,1,0,0,0,0|1,0,1]=3 3053 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,1,0,0,0,0|1,0,1]=3 3054 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,1,0,0,0,0|1,0,1]=3 3055 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|1,0,1]=3 3056 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,1,0,0,0,0|1,0,1]=3 3057 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,1,0,0,0,0|1,0,1]=3 3058 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,1]=3 3059 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,1,0,0,0,0|1,0,1]=3 3060 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,1,0,0,0,0|1,0,1]=3 3061 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,1,0,0,0,0|1,0,1]=3 3062 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,1,0,0,0,0|1,0,1]=3 3063 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,1,0,0,0,0|1,0,1]=3 3064 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,1,0,0,0,0|1,0,1]=3 3065 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,1,0,0,0,0|1,0,1]=3 3066 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,1,0,0,0,0|1,0,2]=4 3067 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|1,0,2]=4 3068 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,1,0,0,0,0|1,0,2]=4 3069 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,2]=4 3070 B10R0.71 OCCCCOCC#CCCl 34a_200000047223_100011216708 [0,1,0,0,0,0|1,0,2]=4 3071 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,1,0,0,0,0|1,0,2]=4 3072 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,1,0,0,0,0|1,0,2]=4 3073 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,1,0,0,0,0|1,0,2]=4 3074 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,1,0,0,0,0|1,0,2]=4 3075 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,1,0,0,0,0|1,0,2]=4 3076 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,1,0,0,0,0|1,0,2]=4 3077 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,1,0,0,0,0|1,0,2]=4 3078 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,1,0,0,0,0|1,0,2]=4 3079 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,1,0,0,0,0|1,0,2]=4 3080 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [0,1,0,0,0,0|2,0,1]=4 3081 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|2,0,1]=4 3082 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [0,1,0,0,0,0|2,0,1]=4 3083 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,1,0,0,0,0|1,0,2]=4 3084 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,1,0,0,0,0|1,0,2]=4 3085 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,1,0,0,0,0|1,0,2]=4 3086 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,1,0,0,0,0|1,0,2]=4 3087 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,1,0,0,0,0|1,0,2]=4 3088 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,1,0,0,0,0|1,0,2]=4 3089 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [0,1,0,0,0,0|2,0,1]=4 3090 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [0,1,0,0,0,0|2,0,1]=4 3091 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [0,1,0,0,0,0|2,0,1]=4 3092 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [0,1,0,0,0,0|2,0,1]=4 3093 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [0,1,0,0,0,0|2,0,1]=4 3094 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [0,1,0,0,0,0|2,0,1]=4 3095 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [0,1,0,0,0,0|2,0,1]=4 3096 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [0,1,0,0,0,0|2,0,1]=4 3097 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [0,1,0,0,0,0|2,0,1]=4 3098 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,1,0,0,0,0|1,0,2]=4 3099 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,1,0,0,0,0|1,0,2]=4 3100 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [0,1,0,0,0,0|2,0,1]=4 3101 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [0,1,0,0,0,0|2,0,1]=4 3102 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,1,0,0,0,0|1,0,2]=4 3103 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,1,0,0,0,0|1,0,2]=4 3104 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,1,0,0,0,0|1,0,2]=4 3105 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,1,0,0,0,0|1,0,2]=4 3106 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,1,0,0,0,0|1,0,2]=4 3107 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,1,0,0,0,0|1,0,2]=4 3108 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,1,0,0,0,0|1,0,2]=4 3109 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,1,0,0,0,0|1,0,2]=4 3110 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [0,1,0,0,0,0|2,0,1]=4 3111 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [0,1,0,0,0,0|2,0,1]=4 3112 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [0,1,0,0,0,0|2,0,1]=4 3113 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [0,1,0,0,0,0|2,0,1]=4 3114 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,1,0,0,0,0|2,0,1]=4 3115 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,1,0,0,0,0|2,0,1]=4 3116 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,1,0,0,0,0|2,0,1]=4 3117 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [0,1,0,0,0,0|2,0,1]=4 3118 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [0,1,0,0,0,0|2,0,1]=4 3119 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,1,0,0,0,0|1,0,2]=4 3120 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,1,0,0,0,0|1,0,2]=4 3121 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [0,1,0,0,0,0|2,0,1]=4 3122 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,1,0,0,0,0|0,0,2]=3 3123 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,1,0,0,0,0|0,0,2]=3 3124 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,1,0,0,0,0|2,0,1]=4 3125 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,1,0,0,0,0|2,0,1]=4 3126 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,1,0,0,0,0|1,0,2]=4 3127 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,1,0,0,0,0|1,0,2]=4 3128 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,1,0,0,0,0|1,0,2]=4 3129 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,1,0,0,0,0|1,0,2]=4 3130 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,1,0,0,0,0|1,0,2]=4 3131 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,1,0,0,0,0|2,0,1]=4 3132 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,1,0,0,0,0|0,0,2]=3 3133 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,1,0,0,0,0|0,0,2]=3 3134 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,1,0,0,0,0|2,0,1]=4 3135 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,1,0,0,0,0|2,0,1]=4 3136 B10R0.74 C#C/C(=C\COCCCO)/C 34a_100016990848_100000230001 [0,1,0,0,0,0|1,0,2]=4 3137 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,1,0,0,0,0|0,0,3]=4 3138 B10R0.74 C#CC(C)NCC/C=C\CC 2230a_100000707721_100015370543 [0,1,0,0,0,0|2,0,1]=4 3139 B10R0.74 C#CC(C)NCC/C=C\CC 34a_100000707721_100015370543 [0,1,0,0,0,0|2,0,1]=4 3140 B10R0.74 C#CC(C)OCC/C=C\CC 34a_100016288707_200000035995 [0,1,0,0,0,0|2,0,1]=4 3141 B10R0.74 C#CC(C)SCC/C=C\CC 62a_200000035995_100015370543 [0,1,0,0,0,0|2,0,1]=4 3142 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,1,0,0,0,0|1,0,2]=4 3143 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,1,0,0,0,0|1,0,2]=4 3144 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,1,0,0,0,0|2,0,1]=4 3145 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,1,0,0,0,0|2,0,1]=4 3146 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,1,0,0,0,0|2,0,1]=4 3147 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,1,0,0,0,0|2,0,1]=4 3148 B10R0.74 C#C[C@@H](C)OCC/C=C\CC 34a_100009815206_100015370543 [0,1,0,0,0,0|2,0,1]=4 3149 B10R0.74 C#C[C@@H](C)OCC/C=C\CC 7a_100009815206_100015370543 [0,1,0,0,0,0|2,0,1]=4 3150 B10R0.74 C/C=C/C=C/COC(C)CO 34a_100016283227_100012180447 [0,1,0,0,0,0|1,0,2]=4 3151 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,1,0,0,0,0|1,0,2]=4 3152 B10R0.74 C/C=C/CCOC[C@@H](C)CO 34a_100016278192_100000059175 [0,1,0,0,0,0|1,0,2]=4 3153 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,1,0,0,0,0|1,0,2]=4 3154 B10R0.74 C/C=C/CNCCC(C)CO 34a_106354213184_100102629194 [0,1,0,0,0,0|1,0,2]=4 3155 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,0,0,0,0|0,0,3]=4 3156 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,1,0,0,0,0|1,0,2]=4 3157 B10R0.74 C=CC(C)COC/C=C\CC 34a_100011215527_100103147603 [0,1,0,0,0,0|2,0,1]=4 3158 B10R0.74 C=CC(C)COC/C=C\CC 7a_100011215527_100103147603 [0,1,0,0,0,0|2,0,1]=4 3159 B10R0.74 C=CC(C)OCC/C=C\CC 34a_100000695699_100015370543 [0,1,0,0,0,0|2,0,1]=4 3160 B10R0.74 C=CC(C)SCC/C=C\CC 62a_100011215867_100015370543 [0,1,0,0,0,0|2,0,1]=4 3161 B10R0.74 C=CC(O)COC/C=C\CC 34a_100016268518_100000730141 [0,1,0,0,0,0|2,0,1]=4 3162 B10R0.74 C=CC(O)CSC/C=C\CC 62a_100000730141_100103147603 [0,1,0,0,0,0|2,0,1]=4 3163 B10R0.74 C=CC(O)CSC/C=C\CC 62a_100103147603_100000730141 [0,1,0,0,0,0|2,0,1]=4 3164 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,1,0,0,0,0|1,0,2]=4 3165 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,1,0,0,0,0|1,0,2]=4 3166 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,1,0,0,0,0|2,0,1]=4 3167 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,1,0,0,0,0|2,0,1]=4 3168 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,1,0,0,0,0|2,0,1]=4 3169 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,1,0,0,0,0|2,0,1]=4 3170 B10R0.74 C=C[C@H](N)COC/C=C\CC 34a_100016989147_100103147603 [0,1,0,0,0,0|2,0,1]=4 3171 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,1,0,0,0,0|2,0,1]=4 3172 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,1,0,0,0,0|2,0,1]=4 3173 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|2,0,1]=4 3174 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,1,0,0,0,0|2,0,1]=4 3175 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,1]=4 3176 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,1,0,0,0,0|2,0,1]=4 3177 B10R0.74 CC/C=C\CCNC(C)C#N 2230a_100000737613_100015370543 [0,1,0,0,0,0|2,0,1]=4 3178 B10R0.74 CC/C=C\CCNC(C)CC 2230a_100000209981_100015370543 [0,1,0,0,0,0|2,0,0]=3 3179 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,1,0,0,0,0|1,0,0]=2 3180 B10R0.74 CC/C=C\CCOC(C)C#N 34a_100011218135_100015370543 [0,1,0,0,0,0|2,0,1]=4 3181 B10R0.74 CC/C=C\CCOC(C)C#N 7a_100016288707_100000703298 [0,1,0,0,0,0|2,0,1]=4 3182 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [0,1,0,0,0,0|2,0,0]=3 3183 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [0,1,0,0,0,0|2,0,0]=3 3184 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [0,1,0,0,0,0|2,0,0]=3 3185 B10R0.74 CC/C=C\CCOC(C)CF 34a_100016041109_100015370543 [0,1,0,0,0,0|2,0,0]=3 3186 B10R0.74 CC/C=C\CCOC(C)CF 7a_100016041109_100015370543 [0,1,0,0,0,0|2,0,0]=3 3187 B10R0.74 CC/C=C\CCOC(C)CN 34a_100000210904_100015370543 [0,1,0,0,0,0|2,0,0]=3 3188 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,1,0,0,0,0|1,0,0]=2 3189 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,1,0,0,0,0|1,0,0]=2 3190 B10R0.74 CC/C=C\CCSC(C)C#N 62a_100000703298_100015370543 [0,1,0,0,0,0|2,0,1]=4 3191 B10R0.74 CC/C=C\CCSC(C)C#N 62a_100015370543_100000703298 [0,1,0,0,0,0|2,0,1]=4 3192 B10R0.74 CC/C=C\CCSC(C)CC 62a_100000758301_100015370543 [0,1,0,0,0,0|2,0,0]=3 3193 B10R0.74 CC/C=C\CCSC(C)CC 62a_100015370543_100000758301 [0,1,0,0,0,0|2,0,0]=3 3194 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,1,0,0,0,0|1,0,0]=2 3195 B10R0.74 CC/C=C\CCSC(C)OC 62a_100009879195_100015370543 [0,1,0,0,0,0|3,0,0]=4 3196 B10R0.74 CC/C=C\CCSC(C)OC 62a_100015370543_100009879195 [0,1,0,0,0,0|3,0,0]=4 3197 B10R0.74 CC/C=C\CCSC(F)C#N 62a_100015370543_200000117898 [0,1,0,0,0,0|2,0,1]=4 3198 B10R0.74 CC/C=C\CCSC(F)C#N 62a_200000117898_100015370543 [0,1,0,0,0,0|2,0,1]=4 3199 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,1,0,0,0,0|1,0,0]=2 3200 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,1,0,0,0,0|1,0,0]=2 3201 B10R0.74 CC/C=C\CNCC(C)CC 2230a_100020588543_100103147603 [0,1,0,0,0,0|2,0,0]=3 3202 B10R0.74 CC/C=C\CNCC(C)CO 34a_100000744482_100103147603 [0,1,0,0,0,0|1,0,0]=2 3203 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,1,0,0,0,0|2,0,0]=3 3204 B10R0.74 CC/C=C\CNC[C@@H](C)OC 2230a_100020591295_100103147603 [0,1,0,0,0,0|3,0,0]=4 3205 B10R0.74 CC/C=C\CNC[C@@H](F)CO 34a_100015665980_100103147603 [0,1,0,0,0,0|1,0,0]=2 3206 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,1,0,0,0,0|1,0,0]=2 3207 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,1,0,0,0,0|2,0,1]=4 3208 B10R0.74 CC/C=C\COCC(C)CC 34a_100016268518_100000748023 [0,1,0,0,0,0|2,0,0]=3 3209 B10R0.74 CC/C=C\COCC(C)CN 34a_100000744482_100103147603 [0,1,0,0,0,0|2,0,0]=3 3210 B10R0.74 CC/C=C\COCC(C)OC 34a_100000690652_100103147603 [0,1,0,0,0,0|3,0,0]=4 3211 B10R0.74 CC/C=C\COCC(Cl)CCl 34a_100000033668_100103147603 [0,1,0,0,0,0|2,0,0]=3 3212 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,1,0,0,0,0|2,0,0]=3 3213 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,1,0,0,0,0|1,0,0]=2 3214 B10R0.74 CC/C=C\COC[C@@H](C)CC 34a_100016268518_100009816398 [0,1,0,0,0,0|2,0,0]=3 3215 B10R0.74 CC/C=C\COC[C@@H](C)CC 7a_100009816381_100103147603 [0,1,0,0,0,0|2,0,0]=3 3216 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,1,0,0,0,0|1,0,0]=2 3217 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,1,0,0,0,0|2,0,0]=3 3218 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,1,0,0,0,0|1,0,0]=2 3219 B10R0.74 CC/C=C\COC[C@H](F)CN 34a_100015665980_100103147603 [0,1,0,0,0,0|2,0,0]=3 3220 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,1,0,0,0,0|2,0,1]=4 3221 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,1,0,0,0,0|2,0,1]=4 3222 B10R0.74 CC/C=C\CSCC(C)CC 62a_100000748023_100103147603 [0,1,0,0,0,0|2,0,0]=3 3223 B10R0.74 CC/C=C\CSCC(C)CC 62a_100103147603_100000748023 [0,1,0,0,0,0|2,0,0]=3 3224 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,1,0,0,0,0|2,0,0]=3 3225 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,1,0,0,0,0|2,0,0]=3 3226 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,1,0,0,0,0|1,0,0]=2 3227 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,1,0,0,0,0|1,0,0]=2 3228 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100009816398_100103147603 [0,1,0,0,0,0|2,0,0]=3 3229 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100103147603_100009816398 [0,1,0,0,0,0|2,0,0]=3 3230 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100000059175_100103147603 [0,1,0,0,0,0|1,0,0]=2 3231 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100103147603_100000059175 [0,1,0,0,0,0|1,0,0]=2 3232 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100015614560_100103147603 [0,1,0,0,0,0|2,0,0]=3 3233 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100103147603_100015614560 [0,1,0,0,0,0|2,0,0]=3 3234 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,1,0,0,0,0|1,0,0]=2 3235 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,1,0,0,0,0|1,0,0]=2 3236 B10R0.74 CC=C=CCCOC(C)CO 34a_100011020354_100012180447 [0,1,0,0,0,0|1,0,2]=4 3237 B10R0.74 CC=CCCCOC(C)CO 34a_100020645299_100012180447 [0,1,0,0,0,0|1,0,2]=4 3238 B10R0.74 CC=CCNCCC(C)CO 2230a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 3239 B10R0.74 CC=CCNCCC(C)CO 34a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 3240 B10R0.74 CCC#CCCOC(C)CO 34a_100000036655_100012180447 [0,1,0,0,0,0|1,0,2]=4 3241 B10R0.74 CCC#CCCOC(C)CO 7a_100000036655_100012180447 [0,1,0,0,0,0|1,0,2]=4 3242 B10R0.74 CCC#CCNCC(C)CO 34a_100000744482_100009813939 [0,1,0,0,0,0|1,0,2]=4 3243 B10R0.74 CCC#CCNC[C@@H](F)CO 34a_100015665980_100009813939 [0,1,0,0,0,0|1,0,2]=4 3244 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,1,0,0,0,0|1,0,2]=4 3245 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,1,0,0,0,0|1,0,2]=4 3246 B10R0.74 CCC#CCOC[C@@H](C)CO 34a_100000032950_100000059175 [0,1,0,0,0,0|1,0,2]=4 3247 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,1,0,0,0,0|1,0,2]=4 3248 B10R0.74 CCC#CCSCC(O)CO 62a_100009813939_100011219619 [0,1,0,0,0,0|1,0,2]=4 3249 B10R0.74 CCC#CCSCC(O)CO 62a_100011219619_100009813939 [0,1,0,0,0,0|1,0,2]=4 3250 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100000059175_100009813939 [0,1,0,0,0,0|1,0,2]=4 3251 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100009813939_100000059175 [0,1,0,0,0,0|1,0,2]=4 3252 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009813939_100009815848 [0,1,0,0,0,0|1,0,2]=4 3253 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009815848_100009813939 [0,1,0,0,0,0|1,0,2]=4 3254 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,1,0,0,0,0|1,0,2]=4 3255 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|1,0,1]=3 3256 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|0,0,1]=2 3257 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|0,0,1]=2 3258 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|2,0,1]=4 3259 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,1,0,0,0,0|2,0,1]=4 3260 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,1,0,0,0,0|2,0,1]=4 3261 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,1,0,0,0,0|2,0,1]=4 3262 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,1,0,0,0,0|1,0,1]=3 3263 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,1,0,0,0,0|2,0,1]=4 3264 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,1,0,0,0,0|2,0,1]=4 3265 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,1,0,0,0,0|1,0,1]=3 3266 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,1,0,0,0,0|1,0,1]=3 3267 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 3268 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 3269 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 3270 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 3271 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,1,0,0,0,0|1,0,0]=2 3272 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [0,1,0,0,0,0|3,0,0]=4 3273 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,1,0,0,0,0|2,0,0]=3 3274 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,1,0,0,0,0|3,0,0]=4 3275 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,1,0,0,0,0|3,0,0]=4 3276 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,1,0,0,0,0|2,0,0]=3 3277 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,1,0,0,0,0|2,0,0]=3 3278 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,1,0,0,0,0|2,0,0]=3 3279 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,1,0,0,0,0|2,0,0]=3 3280 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,1,0,0,0,0|2,0,0]=3 3281 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,1,0,0,0,0|3,0,0]=4 3282 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,1,0,0,0,0|2,0,0]=3 3283 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|1,0,2]=4 3284 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,0,0,0,0|1,0,2]=4 3285 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,1,0,0,0,0|1,0,2]=4 3286 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,0,0,0,0|1,0,2]=4 3287 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,0,0,0,0|1,0,2]=4 3288 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,0,0,0,0|1,0,2]=4 3289 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,0,0,0,0|1,0,2]=4 3290 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,1,0,0,0,0|1,0,2]=4 3291 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,1,0,0,0,0|1,0,2]=4 3292 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,1,0,0,0,0|2,0,1]=4 3293 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|1,0,1]=3 3294 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|1,0,1]=3 3295 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|1,0,1]=3 3296 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [0,1,0,0,0,0|2,0,1]=4 3297 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [0,1,0,0,0,0|2,0,1]=4 3298 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [0,1,0,0,0,0|2,0,1]=4 3299 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [0,1,0,0,0,0|2,0,1]=4 3300 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,1,0,0,0,0|2,0,1]=4 3301 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,1,0,0,0,0|2,0,1]=4 3302 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,1,0,0,0,0|2,0,1]=4 3303 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,1,0,0,0,0|2,0,1]=4 3304 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,1,0,0,0,0|2,0,1]=4 3305 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,1,0,0,0,0|2,0,1]=4 3306 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,1,0,0,0,0|2,0,1]=4 3307 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,1,0,0,0,0|2,0,1]=4 3308 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|1,0,1]=3 3309 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,1,0,0,0,0|2,0,1]=4 3310 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,1,0,0,0,0|2,0,1]=4 3311 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,1,0,0,0,0|2,0,1]=4 3312 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|1,0,1]=3 3313 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|1,0,1]=3 3314 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [0,1,0,0,0,0|2,0,1]=4 3315 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [0,1,0,0,0,0|2,0,1]=4 3316 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 3317 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,0,0,0,0|1,0,2]=4 3318 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 3319 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,0,0,0,0|1,0,2]=4 3320 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,0,0,0,0|1,0,2]=4 3321 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,1,0,0,0,0|1,0,2]=4 3322 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,1,0,0,0,0|1,0,2]=4 3323 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,1,0,0,0,0|1,0,2]=4 3324 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,1,0,0,0,0|1,0,1]=3 3325 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,1,0,0,0,0|2,0,1]=4 3326 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,1,0,0,0,0|2,0,1]=4 3327 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,1,0,0,0,0|2,0,1]=4 3328 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,1,0,0,0,0|2,0,1]=4 3329 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,1]=3 3330 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,1]=3 3331 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|2,0,1]=4 3332 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,3]=4 3333 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|2,0,1]=4 3334 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 3335 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 3336 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 3337 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|2,0,1]=4 3338 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|2,0,1]=4 3339 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|2,0,1]=4 3340 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|2,0,1]=4 3341 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|2,0,1]=4 3342 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|2,0,1]=4 3343 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|2,0,1]=4 3344 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|2,0,1]=4 3345 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|2,0,0]=3 3346 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|2,0,0]=3 3347 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|2,0,0]=3 3348 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|2,0,0]=3 3349 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|3,0,0]=4 3350 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|3,0,0]=4 3351 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,0,0,0,0|3,0,0]=4 3352 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,0,0,0,0|3,0,0]=4 3353 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,0,0,0,0|3,0,0]=4 3354 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,0,0,0,0|3,0,0]=4 3355 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,0,0,0,0|3,0,0]=4 3356 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,0,0,0,0|3,0,0]=4 3357 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,1,0,0,0,0|2,0,1]=4 3358 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,1,0,0,0,0|2,0,1]=4 3359 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|1,0,2]=4 3360 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|1,0,2]=4 3361 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|2,0,1]=4 3362 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|2,0,1]=4 3363 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|2,0,1]=4 3364 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|1,0,2]=4 3365 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|1,0,2]=4 3366 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,1,0,0,0,0|2,0,1]=4 3367 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,1,0,0,0,0|2,0,1]=4 3368 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|1,0,2]=4 3369 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|1,0,2]=4 3370 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|1,0,2]=4 3371 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|1,0,2]=4 3372 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|1,0,2]=4 3373 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|1,0,2]=4 3374 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|1,0,2]=4 3375 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|1,0,2]=4 3376 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|1,0,2]=4 3377 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,1,0,0,0,0|3,0,0]=4 3378 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|2,0,1]=4 3379 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|2,0,1]=4 3380 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|1,0,2]=4 3381 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|1,0,2]=4 3382 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|1,0,2]=4 3383 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|1,0,2]=4 3384 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|1,0,2]=4 3385 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|1,0,2]=4 3386 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|2,0,1]=4 3387 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|2,0,1]=4 3388 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|1,0,2]=4 3389 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|1,0,2]=4 3390 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|1,0,2]=4 3391 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|1,0,2]=4 3392 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|1,0,2]=4 3393 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|1,0,2]=4 3394 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|1,0,2]=4 3395 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|1,0,2]=4 3396 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|2,0,1]=4 3397 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,1,0,0,0,0|3,0,0]=4 3398 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|2,0,1]=4 3399 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,1,0,0,0,0|2,0,1]=4 3400 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,1,0,0,0,0|3,0,0]=4 3401 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,1,0,0,0,0|3,0,0]=4 3402 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,1,0,0,0,0|3,0,0]=4 3403 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,1,0,0,0,0|3,0,0]=4 3404 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,1,0,0,0,0|3,0,0]=4 3405 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,1,0,0,0,0|2,0,1]=4 3406 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,1,0,0,0,0|2,0,1]=4 3407 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,1,0,0,0,0|2,0,1]=4 3408 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,1,0,0,0,0|3,0,0]=4 3409 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,1,0,0,0,0|2,0,1]=4 3410 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,1,0,0,0,0|2,0,1]=4 3411 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,1,0,0,0,0|2,0,1]=4 3412 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,1,0,0,0,0|2,0,1]=4 3413 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,1,0,0,0,0|2,0,1]=4 3414 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,1,0,0,0,0|3,0,0]=4 3415 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,1,0,0,0,0|3,0,0]=4 3416 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,1,0,0,0,0|3,0,0]=4 3417 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,1,0,0,0,0|2,0,1]=4 3418 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,1,0,0,0,0|2,0,1]=4 3419 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,1,0,0,0,0|2,0,1]=4 3420 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,1,0,0,0,0|2,0,1]=4 3421 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,1,0,0,0,0|2,0,1]=4 3422 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|1,0,1]=3 3423 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|1,0,1]=3 3424 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,1,0,0,0,0|2,0,1]=4 3425 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,1,0,0,0,0|2,0,1]=4 3426 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,1,0,0,0,0|3,0,0]=4 3427 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,1,0,0,0,0|3,0,0]=4 3428 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,1,0,0,0,0|3,0,0]=4 3429 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,1,0,0,0,0|3,0,0]=4 3430 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,1,0,0,0,0|2,0,1]=4 3431 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,1,0,0,0,0|2,0,1]=4 3432 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,1,0,0,0,0|2,0,1]=4 3433 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,1,0,0,0,0|2,0,1]=4 3434 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,1,0,0,0,0|2,0,1]=4 3435 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,1,0,0,0,0|2,0,1]=4 3436 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,1,0,0,0,0|2,0,1]=4 3437 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,1,0,0,0,0|2,0,1]=4 3438 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,1,0,0,0,0|2,0,1]=4 3439 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,1,0,0,0,0|2,0,1]=4 3440 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,1,0,0,0,0|2,0,1]=4 3441 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,1,0,0,0,0|2,0,1]=4 3442 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,1,0,0,0,0|2,0,1]=4 3443 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,1,0,0,0,0|2,0,1]=4 3444 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,1,0,0,0,0|2,0,1]=4 3445 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,1,0,0,0,0|2,0,1]=4 3446 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,1,0,0,0,0|2,0,1]=4 3447 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,1,0,0,0,0|2,0,1]=4 3448 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,1,0,0,0,0|2,0,1]=4 3449 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,1,0,0,0,0|2,0,1]=4 3450 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,1,0,0,0,0|2,0,1]=4 3451 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,1,0,0,0,0|2,0,1]=4 3452 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,1,0,0,0,0|2,0,1]=4 3453 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,1,0,0,0,0|2,0,1]=4 3454 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,1,0,0,0,0|2,0,1]=4 3455 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,1,0,0,0,0|2,0,1]=4 3456 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,1,0,0,0,0|2,0,1]=4 3457 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,1,0,0,0,0|2,0,1]=4 3458 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,1,0,0,0,0|2,0,1]=4 3459 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,1,0,0,0,0|2,0,1]=4 3460 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,1,0,0,0,0|2,0,1]=4 3461 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,1,0,0,0,0|2,0,1]=4 3462 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,1,0,0,0,0|2,0,1]=4 3463 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,1,0,0,0,0|2,0,1]=4 3464 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,1,0,0,0,0|2,0,1]=4 3465 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,1,0,0,0,0|2,0,1]=4 3466 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,1,0,0,0,0|2,0,1]=4 3467 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,1,0,0,0,0|2,0,1]=4 3468 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,1,0,0,0,0|2,0,1]=4 3469 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,1,0,0,0,0|2,0,1]=4 3470 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,1,0,0,0,0|2,0,1]=4 3471 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,1,0,0,0,0|2,0,1]=4 3472 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,1,0,0,0,0|2,0,1]=4 3473 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,1,0,0,0,0|2,0,1]=4 3474 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,1,0,0,0,0|2,0,1]=4 3475 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,1,0,0,0,0|2,0,1]=4 3476 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,1,0,0,0,0|2,0,1]=4 3477 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,1,0,0,0,0|2,0,1]=4 3478 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,1,0,0,0,0|2,0,1]=4 3479 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,0,0,0,0|1,0,2]=4 3480 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,0,0,0,0|1,0,2]=4 3481 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,1,0,0,0,0|1,0,2]=4 3482 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,1,0,0,0,0|1,0,2]=4 3483 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,1,0,0,0,0|1,0,2]=4 3484 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,0,0,0,0|1,0,1]=3 3485 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,1,0,0,0,0|2,0,1]=4 3486 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,1,0,0,0,0|2,0,1]=4 3487 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,1,0,0,0,0|2,0,1]=4 3488 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,1,0,0,0,0|2,0,1]=4 3489 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,1,0,0,0,0|2,0,1]=4 3490 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,1,0,0,0,0|2,0,1]=4 3491 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,1,0,0,0,0|2,0,1]=4 3492 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,1,0,0,0,0|2,0,1]=4 3493 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,1,0,0,0,0|2,0,1]=4 3494 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,1,0,0,0,0|2,0,1]=4 3495 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,1,0,0,0,0|2,0,1]=4 3496 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,1,0,0,0,0|2,0,1]=4 3497 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,1,0,0,0,0|2,0,1]=4 3498 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,1,0,0,0,0|2,0,1]=4 3499 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,1,0,0,0,0|2,0,1]=4 3500 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,1,0,0,0,0|2,0,1]=4 3501 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,1,0,0,0,0|2,0,1]=4 3502 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,1,0,0,0,0|2,0,0]=3 3503 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,1,0,0,0,0|2,0,0]=3 3504 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,1,0,0,0,0|2,0,0]=3 3505 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,1,0,0,0,0|2,0,0]=3 3506 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,1,0,0,0,0|2,0,0]=3 3507 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,1,0,0,0,0|3,0,0]=4 3508 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,1,0,0,0,0|3,0,0]=4 3509 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,1,0,0,0,0|3,0,0]=4 3510 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,1,0,0,0,0|3,0,0]=4 3511 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,1,0,0,0,0|3,0,0]=4 3512 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,1,0,0,0,0|3,0,0]=4 3513 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,1,0,0,0,0|3,0,0]=4 3514 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,1,0,0,0,0|3,0,0]=4 3515 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,1,0,0,0,0|3,0,0]=4 3516 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,1,0,0,0,0|3,0,0]=4 3517 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,1,0,0,0,0|3,0,0]=4 3518 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,1,0,0,0,0|3,0,0]=4 3519 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,1,0,0,0,0|3,0,0]=4 3520 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [0,1,0,0,0,0|2,0,1]=4 3521 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [0,1,0,0,0,0|2,0,1]=4 3522 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [0,1,0,0,0,0|2,0,1]=4 3523 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [0,1,0,0,0,0|2,0,1]=4 3524 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,1,0,0,0,0|2,0,1]=4 3525 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,1,0,0,0,0|2,0,1]=4 3526 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,1,0,0,0,0|2,0,1]=4 3527 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,1,0,0,0,0|2,0,1]=4 3528 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,1,0,0,0,0|2,0,1]=4 3529 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,1,0,0,0,0|2,0,1]=4 3530 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 3531 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 3532 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 3533 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,0,0,0,0|2,0,1]=4 3534 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,1,0,0,0,0|3,0,0]=4 3535 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,1,0,0,0,0|3,0,0]=4 3536 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,1,0,0,0,0|3,0,0]=4 3537 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,1,0,0,0,0|2,0,1]=4 3538 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,1,0,0,0,0|2,0,1]=4 3539 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,1,0,0,0,0|2,0,1]=4 3540 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,1,0,0,0,0|2,0,1]=4 3541 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,1,0,0,0,0|2,0,1]=4 3542 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,0,0,0,0|1,0,1]=3 3543 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,0,0,0,0|2,0,1]=4 3544 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|1,0,1]=3 3545 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,0,0,0,0|2,0,0]=3 3546 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,1,0,0,0,0|3,0,0]=4 3547 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,1,0,0,0,0|3,0,0]=4 3548 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,1,0,0,0,0|3,0,0]=4 3549 B10R0.91 C#CCCC(=O)C/C=C/CC 1458a_100016274230_100000753159 [0,1,0,0,0,0|1,0,2]=4 3550 B10R0.91 C#CCCC(=O)C/C=C\CC 1458a_100000692101_100103147603 [0,1,0,0,0,0|1,0,2]=4 3551 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,1,0,0,0,0|1,0,2]=4 3552 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [0,1,0,0,0,0|0,0,3]=4 3553 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,1,0,0,0,0|0,0,3]=4 3554 B10R0.91 C/C=C/CN(C)CCCCO 269982a_100000717598_100102629194 [0,1,0,0,0,0|1,0,2]=4 3555 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,1,0,0,0,0|0,0,3]=4 3556 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [0,1,0,0,0,0|1,0,2]=4 3557 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [0,1,0,0,0,0|1,0,2]=4 3558 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,1,0,0,0,0|1,0,2]=4 3559 B10R0.91 C=CCCN(C)C/C=C\CC 2230a_100020639649_100103147603 [0,1,0,0,0,0|2,0,1]=4 3560 B10R0.91 C=CCCN(C)C/C=C\CC 269982a_100020639649_100103147603 [0,1,0,0,0,0|2,0,1]=4 3561 B10R0.91 CC/C=C/CC(=O)CCC#N 1458a_100016274230_100011215226 [0,1,0,0,0,0|1,0,2]=4 3562 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,1,0,0,0,0|1,0,1]=3 3563 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,1,0,0,0,0|1,0,1]=3 3564 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,1,0,0,0,0|0,0,1]=2 3565 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,1,0,0,0,0|2,0,1]=4 3566 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,1,0,0,0,0|2,0,1]=4 3567 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,1,0,0,0,0|2,0,1]=4 3568 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,1,0,0,0,0|2,0,1]=4 3569 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,1,0,0,0,0|2,0,1]=4 3570 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,1,0,0,0,0|2,0,1]=4 3571 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [0,1,0,0,0,0|2,0,1]=4 3572 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [0,1,0,0,0,0|2,0,1]=4 3573 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [0,1,0,0,0,0|2,0,1]=4 3574 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [0,1,0,0,0,0|2,0,1]=4 3575 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,1,0,0,0,0|1,0,1]=3 3576 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,1,0,0,0,0|1,0,1]=3 3577 B10R0.91 CC/C=C\CC(=O)C#CCO 1458a_100000049017_100103147603 [0,1,0,0,0,0|0,0,3]=4 3578 B10R0.91 CC/C=C\CC(=O)CCC#N 1458a_100011934036_100103147603 [0,1,0,0,0,0|1,0,2]=4 3579 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,1,0,0,0,0|1,0,1]=3 3580 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,1,0,0,0,0|2,0,1]=4 3581 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,1,0,0,0,0|2,0,1]=4 3582 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,1,0,0,0,0|2,0,1]=4 3583 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,1,0,0,0,0|2,0,1]=4 3584 B10R0.91 CC/C=C\CN(C)CCC#N 2230a_100000184479_100103147603 [0,1,0,0,0,0|2,0,1]=4 3585 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [0,1,0,0,0,0|2,0,0]=3 3586 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [0,1,0,0,0,0|2,0,0]=3 3587 B10R0.91 CC/C=C\CN(C)CCCO 2230a_100000213112_100103147603 [0,1,0,0,0,0|1,0,0]=2 3588 B10R0.91 CC/C=C\CN(C)CCCO 269982a_100000213112_100103147603 [0,1,0,0,0,0|1,0,0]=2 3589 B10R0.91 CC/C=C\CN(C)CCOC 2230a_100000743101_100103147603 [0,1,0,0,0,0|3,0,0]=4 3590 B10R0.91 CC/C=C\CN(C)CCOC 269982a_100000743101_100103147603 [0,1,0,0,0,0|3,0,0]=4 3591 B10R0.91 CC/C=C\CN(C)CCSC 2230a_100000686725_100103147603 [0,1,0,0,0,0|3,0,0]=4 3592 B10R0.91 CC/C=C\CN(C)CCSC 269982a_100000686725_100103147603 [0,1,0,0,0,0|3,0,0]=4 3593 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,1,0,0,0,0|0,0,3]=4 3594 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,1,0,0,0,0|0,0,3]=4 3595 B10R0.91 CC=CCN(C)CCCCO 2230a_100000717598_100000070051 [0,1,0,0,0,0|1,0,2]=4 3596 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,1,0,0,0,0|0,0,3]=4 3597 B10R0.91 CCC#CC(C)OCCCO 34a_100000033903_100000230001 [0,1,0,0,0,0|1,0,2]=4 3598 B10R0.91 CCC#CC(C)OCCCO 7a_100000033903_100011215043 [0,1,0,0,0,0|1,0,2]=4 3599 B10R0.91 CCC#CCC(C)OCCO 34a_200000035118_100000211926 [0,1,0,0,0,0|1,0,2]=4 3600 B10R0.91 CCC#CCC(C)OCCO 7a_200000035118_100000211926 [0,1,0,0,0,0|1,0,2]=4 3601 B10R0.91 CCC#CCN(C)CCCO 2230a_100000213112_100009813939 [0,1,0,0,0,0|1,0,2]=4 3602 B10R0.91 CCC=CC(=O)CC#CCO 1458a_100000212282_200000047223 [0,1,0,0,0,0|0,0,3]=4 3603 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,1,0,0,0,0|1,0,2]=4 3604 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,0,0,0,0|1,0,1]=3 3605 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,1,0,0,0,0|1,0,1]=3 3606 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,1,0,0,0,0|0,0,1]=2 3607 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,1,0,0,0,0|2,0,1]=4 3608 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,1,0,0,0,0|2,0,1]=4 3609 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,1,0,0,0,0|2,0,1]=4 3610 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,1,0,0,0,0|2,0,1]=4 3611 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,1,0,0,0,0|2,0,1]=4 3612 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,1,0,0,0,0|2,0,1]=4 3613 B10R0.91 CCC=CC(=O)NCCCF 11a_100015189416_100000212282 [0,1,0,0,0,0|2,0,1]=4 3614 B10R0.91 CCC=CC(=O)NCCCF 1626a_100015189416_100000212282 [0,1,0,0,0,0|2,0,1]=4 3615 B10R0.91 CCC=CC(=O)NCCCF 240690a_100015189416_100000212282 [0,1,0,0,0,0|2,0,1]=4 3616 B10R0.91 CCC=CC(=O)NCCCO 240690a_100000182051_100000212282 [0,1,0,0,0,0|1,0,1]=3 3617 B10R0.91 CCC=CC(=O)NNCCO 22a_100000210001_100000212282 [0,1,0,0,0,0|2,0,1]=4 3618 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,1,0,0,0,0|0,0,3]=4 3619 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,1,0,0,0,0|0,0,3]=4 3620 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,1,0,0,0,0|0,0,3]=4 3621 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,1,0,0,0,0|2,0,1]=4 3622 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,1,0,0,0,0|2,0,1]=4 3623 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,1,0,0,0,0|1,0,2]=4 3624 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,1,0,0,0,0|1,0,2]=4 3625 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [0,1,0,0,0,0|1,0,2]=4 3626 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [0,1,0,0,0,0|1,0,2]=4 3627 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,1,0,0,0,0|1,0,2]=4 3628 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,1,0,0,0,0|1,0,2]=4 3629 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [0,1,0,0,0,0|1,0,2]=4 3630 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [0,1,0,0,0,0|1,0,2]=4 3631 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,1,0,0,0,0|2,0,1]=4 3632 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,0,0,0,0|0,0,3]=4 3633 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,1,0,0,0,0|2,0,1]=4 3634 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,1,0,0,0,0|2,0,1]=4 3635 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,1,0,0,0,0|1,0,2]=4 3636 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,1,0,0,0,0|1,0,2]=4 3637 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,1,0,0,0,0|1,0,2]=4 3638 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,1,0,0,0,0|1,0,2]=4 3639 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,1,0,0,0,0|2,0,1]=4 3640 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,1,0,0,0,0|2,0,1]=4 3641 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,1,0,0,0,0|2,0,1]=4 3642 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,1,0,0,0,0|1,0,2]=4 3643 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,1,0,0,0,0|1,0,2]=4 3644 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,1,0,0,0,0|2,0,1]=4 3645 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,1,0,0,0,0|2,0,1]=4 3646 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,1,0,0,0,0|1,0,2]=4 3647 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,1,0,0,0,0|1,0,2]=4 3648 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,1,0,0,0,0|1,0,2]=4 3649 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,1,0,0,0,0|1,0,2]=4 3650 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,1,0,0,0,0|1,0,2]=4 3651 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,1,0,0,0,0|1,0,2]=4 3652 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,1,0,0,0,0|1,0,2]=4 3653 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,1,0,0,0,0|1,0,2]=4 3654 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,1,0,0,0,0|1,0,2]=4 3655 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,1,0,0,0,0|1,0,2]=4 3656 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,1,0,0,0,0|1,0,2]=4 3657 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,1,0,0,0,0|1,0,2]=4 3658 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,1,0,0,0,0|1,0,2]=4 3659 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,1,0,0,0,0|1,0,2]=4 3660 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,1,0,0,0,0|2,0,1]=4 3661 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,1,0,0,0,0|1,0,2]=4 3662 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,1,0,0,0,0|1,0,2]=4 3663 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,1,0,0,0,0|1,0,1]=3 3664 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,1,0,0,0,0|1,0,1]=3 3665 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [0,1,0,0,0,0|2,0,1]=4 3666 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [0,1,0,0,0,0|2,0,1]=4 3667 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,1,0,0,0,0|1,0,2]=4 3668 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,1,0,0,0,0|1,0,2]=4 3669 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [0,1,0,0,0,0|2,0,1]=4 3670 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [0,1,0,0,0,0|1,0,2]=4 3671 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,1,0,0,0,0|1,0,2]=4 3672 B10R0.91 CCOCC(C)OCCCO 34a_100000718985_100000230001 [0,1,0,0,0,0|2,0,1]=4 3673 B10R0.91 CCOCC(C)OCCCO 7a_100000718985_100011215043 [0,1,0,0,0,0|2,0,1]=4 3674 B10R0.91 CCOCC(O)CNCCO 2230a_102515437182_100000211926 [0,1,0,0,0,0|2,0,1]=4 3675 B10R0.91 CCOCC(O)CNCCO 34a_102515437182_100000211926 [0,1,0,0,0,0|2,0,1]=4 3676 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,1,0,0,0,0|1,0,2]=4 3677 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [0,1,0,0,0,0|2,0,1]=4 3678 B10R0.91 CCOCCN(C)CCCO 2230a_100000213112_100011215890 [0,1,0,0,0,0|2,0,1]=4 3679 B10R0.91 CCOCCN(C)CCCO 269982a_100000213112_100011215890 [0,1,0,0,0,0|2,0,1]=4 3680 B10R0.91 CCOCN(C)CCCCO 269982a_100000717598_100000739092 [0,1,0,0,0,0|2,0,1]=4 3681 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,1,0,0,0,0|2,0,1]=4 3682 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,1,0,0,0,0|1,0,2]=4 3683 B10R0.91 CCSCC(C)NCCCO 270004a_100000182051_200011216171 [0,1,0,0,0,0|2,0,1]=4 3684 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,1,0,0,0,0|1,0,2]=4 3685 B10R0.91 CCSCCN(C)CCCO 2230a_100000213112_100000757381 [0,1,0,0,0,0|2,0,1]=4 3686 B10R0.91 CCSCCN(C)CCCO 269982a_100000213112_100000757381 [0,1,0,0,0,0|2,0,1]=4 3687 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,1,0,0,0,0|2,0,1]=4 3688 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,1,0,0,0,0|1,0,1]=3 3689 B10R0.91 COC=CC(=O)NCCCO 240690a_100000182051_100016268678 [0,1,0,0,0,0|2,0,1]=4 3690 B10R0.91 COCNC[C@H](C)CCCO 2230a_100160569302_100000766300 [0,1,0,0,0,0|2,0,1]=4 3691 B10R0.91 CSCNC[C@H](C)CCCO 2230a_100160569302_100011218213 [0,1,0,0,0,0|2,0,1]=4 3692 B10R0.91 CSCNC[C@H](C)CCCO 34a_100160569302_100011218213 [0,1,0,0,0,0|2,0,1]=4 3693 B10R0.91 C[C@H](CCCO)CNCCF 2230a_100160569302_100011217306 [0,1,0,0,0,0|2,0,1]=4 3694 B10R0.91 C[C@H](CCCO)CNCCF 34a_100160569302_100011217306 [0,1,0,0,0,0|2,0,1]=4 3695 B10R0.91 C[C@H](CCCO)CNCCO 2230a_100160569302_100000211926 [0,1,0,0,0,0|2,0,1]=4 3696 B10R0.91 C[C@H](CCCO)CNCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|2,0,1]=4 3697 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,0,0,1,0,0|1,0,2]=4 3698 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,0,0,1,0,0|1,0,2]=4 3699 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,0,0,1,0,0|1,0,2]=4 3700 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 3701 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 3702 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 3703 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,0,0,1,0,0|2,0,1]=4 3704 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,0,0,1,0,0|2,0,1]=4 3705 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,0,0,1,0,0|2,0,1]=4 3706 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,0,0,1,0,0|2,0,1]=4 3707 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,0,0,1,0,0|2,0,1]=4 3708 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,0,0,1,0,0|2,0,1]=4 3709 B10R1.4 CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210202 [0,0,0,1,0,0|2,0,1]=4 3710 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [0,0,0,1,0,0|2,0,1]=4 3711 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,0,0,1,0,0|2,0,1]=4 3712 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,0,0,1,0,0|2,0,1]=4 3713 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,0,0,1,0,0|2,0,1]=4 3714 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,0,0,1,0,0|2,0,1]=4 3715 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,0,0,1,0,0|2,0,1]=4 3716 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,0,0|1,0,1]=3 3717 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,0,0,1,0,0|2,0,1]=4 3718 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,0,0,1,0,0|2,0,1]=4 3719 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,0,0,1,0,0|2,0,1]=4 3720 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [0,0,0,1,0,0|2,0,1]=4 3721 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [0,0,0,1,0,0|2,0,1]=4 3722 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,0,0,1,0,0|1,0,1]=3 3723 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,0,0,1,0,0|1,0,1]=3 3724 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 3725 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 3726 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 3727 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,0,0,1,0,0|1,0,2]=4 3728 B10R1.4 C[C@H]1COCCN1CCO 2230a_100009815349_100000211926 [0,0,0,1,0,0|2,0,1]=4 3729 B10R1.4 C[C@H]1COCCN1CCO 269982a_100009815349_100000211926 [0,0,0,1,0,0|2,0,1]=4 3730 B10R1.4 C[C@H]1COCCN1CCO 34a_100009815349_100000211926 [0,0,0,1,0,0|2,0,1]=4 3731 B10R1.4 OC1CCCCC1SCF 62a_100000038908_100015361967 [0,0,0,1,0,0|2,0,1]=4 3732 B10R1.4 OC1CCCCC1SCF 62a_100015361967_100000038908 [0,0,0,1,0,0|2,0,1]=4 3733 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 3734 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 3735 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 3736 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,0,0,1,0,0|1,0,2]=4 3737 B10R1.5 CCC1C=CCN1CCO 2230a_100000730860_100000211926 [0,0,0,1,0,0|1,0,2]=4 3738 B10R1.5 CCC1C=CCN1CCO 269982a_100000730860_100000211926 [0,0,0,1,0,0|1,0,2]=4 3739 B10R1.5 CCC1C=CCN1CCO 34a_100000730860_100000211926 [0,0,0,1,0,0|1,0,2]=4 3740 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,0,0,1,0,0|1,0,2]=4 3741 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,0,0,1,0,0|1,0,2]=4 3742 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,0,0,1,0,0|1,0,2]=4 3743 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 3744 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 3745 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 3746 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,0,0,1,0,0|1,0,1]=3 3747 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,0,0,1,0,0|1,0,1]=3 3748 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,0,0,1,0,0|1,0,1]=3 3749 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [0,0,0,1,0,0|2,0,1]=4 3750 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [0,0,0,1,0,0|2,0,1]=4 3751 B10R1.5 COCN1CCC[C@@H]1CO 2230a_100000745186_100000766300 [0,0,0,1,0,0|2,0,1]=4 3752 B10R1.5 COCN1CCC[C@@H]1CO 269982a_100000745186_100000766300 [0,0,0,1,0,0|2,0,1]=4 3753 B10R1.5 CSCN1CCC[C@@H]1CO 2230a_100000745186_100011218213 [0,0,0,1,0,0|2,0,1]=4 3754 B10R1.5 CSCN1CCC[C@@H]1CO 269982a_100000745186_100011218213 [0,0,0,1,0,0|2,0,1]=4 3755 B10R1.5 CSCN1CCC[C@@H]1CO 34a_100000745186_100011218213 [0,0,0,1,0,0|2,0,1]=4 3756 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [0,0,0,1,0,0|2,0,1]=4 3757 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [0,0,0,1,0,0|2,0,1]=4 3758 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [0,0,0,1,0,0|2,0,1]=4 3759 B10R1.5 OC[C@H]1CCCN1CCF 2230a_100000745186_100011217306 [0,0,0,1,0,0|2,0,1]=4 3760 B10R1.5 OC[C@H]1CCCN1CCF 269982a_100000745186_100011217306 [0,0,0,1,0,0|2,0,1]=4 3761 B10R1.5 OC[C@H]1CCCN1CCF 34a_100000745186_100011217306 [0,0,0,1,0,0|2,0,1]=4 3762 B10R1.17 C#CCCN1CC=CCC1 2230a_100000698166_100000688953 [0,0,0,1,0,0|2,0,1]=4 3763 B10R1.17 C#CCCN1CC=CCC1 269982a_100000698166_100000730999 [0,0,0,1,0,0|2,0,1]=4 3764 B10R1.17 C#CCCN1CC=CCC1 34a_100000698166_100000688953 [0,0,0,1,0,0|2,0,1]=4 3765 B10R1.17 C#CCOC1CC=CCC1 34a_100000073881_100000184674 [0,0,0,1,0,0|2,0,1]=4 3766 B10R1.17 C=CCCN1CC=CCC1 2230a_100000698166_100000754431 [0,0,0,1,0,0|2,0,1]=4 3767 B10R1.17 C=CCCN1CC=CCC1 269982a_100000698166_100000754431 [0,0,0,1,0,0|2,0,1]=4 3768 B10R1.17 C=CCCN1CC=CCC1 34a_100000698166_100000754431 [0,0,0,1,0,0|2,0,1]=4 3769 B10R1.17 C=CCOC1CC=CCC1 34a_100000073881_100015514636 [0,0,0,1,0,0|2,0,1]=4 3770 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,0,0,1,0,0|2,0,0]=3 3771 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,0,0,1,0,0|2,0,0]=3 3772 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,0,0,1,0,0|2,0,0]=3 3773 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,0,0,1,0,0|2,0,1]=4 3774 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,0,0,1,0,0|2,0,1]=4 3775 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,0,0,1,0,0|2,0,1]=4 3776 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [0,0,0,1,0,0|2,0,0]=3 3777 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,0,0,1,0,0|2,0,1]=4 3778 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,0,0,1,0,0|2,0,1]=4 3779 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,0,0,1,0,0|2,0,1]=4 3780 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,0,0,1,0,0|1,0,1]=3 3781 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,0,0,1,0,0|2,0,1]=4 3782 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,0,0,1,0,0|2,0,1]=4 3783 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [0,0,0,1,0,0|2,0,0]=3 3784 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,0,0,1,0,0|2,0,1]=4 3785 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,0,0,1,0,0|2,0,1]=4 3786 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,0,0,1,0,0|2,0,1]=4 3787 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,0,0,1,0,0|2,0,1]=4 3788 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,0,0,1,0,0|1,0,1]=3 3789 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,0,0,1,0,0|1,0,1]=3 3790 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,0,0,1,0,0|1,0,1]=3 3791 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [0,0,0,1,0,0|2,0,1]=4 3792 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [0,0,0,1,0,0|2,0,1]=4 3793 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,0,0,1,0,0|2,0,0]=3 3794 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,0,0,1,0,0|3,0,0]=4 3795 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,0,0,1,0,0|2,0,1]=4 3796 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,0,0,1,0,0|2,0,1]=4 3797 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,0,0,1,0,0|2,0,1]=4 3798 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,0,0,1,0,0|2,0,1]=4 3799 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,0,0,1,0,0|1,0,1]=3 3800 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,0,0,1,0,0|1,0,1]=3 3801 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,0,0,1,0,0|1,0,1]=3 3802 B10R1.17 CCOCN1CC=CCC1 269982a_100000698166_100000739092 [0,0,0,1,0,0|3,0,0]=4 3803 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [0,0,0,1,0,0|2,0,1]=4 3804 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [0,0,0,1,0,0|2,0,1]=4 3805 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,0,0,1,0,0|2,0,1]=4 3806 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,0,0,1,0,0|2,0,1]=4 3807 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,0,0,1,0,0|1,0,1]=3 3808 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,0,0,1,0,0|1,0,1]=3 3809 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,0,0,1,0,0|1,0,2]=4 3810 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,0,0,1,0,0|1,0,2]=4 3811 B10R1.17 COCCN1CC=CCC1 2230a_100000698166_100011201679 [0,0,0,1,0,0|3,0,0]=4 3812 B10R1.17 COCCN1CC=CCC1 269982a_100000698166_100000233755 [0,0,0,1,0,0|3,0,0]=4 3813 B10R1.17 COCCN1CC=CCC1 34a_100000698166_100011201679 [0,0,0,1,0,0|3,0,0]=4 3814 B10R1.17 CSCCN1CC=CCC1 2230a_100000698166_100000751147 [0,0,0,1,0,0|3,0,0]=4 3815 B10R1.17 CSCCN1CC=CCC1 269982a_100000698166_100000212216 [0,0,0,1,0,0|3,0,0]=4 3816 B10R1.17 CSCCN1CC=CCC1 34a_100000698166_100000212216 [0,0,0,1,0,0|3,0,0]=4 3817 B10R1.17 CSCOC1CC=CCC1 34a_100000073881_100011218213 [0,0,0,1,0,0|3,0,0]=4 3818 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [0,0,0,1,0,0|2,0,1]=4 3819 B10R1.17 FCCCN1CC=CCC1 2230a_100000698166_100011934791 [0,0,0,1,0,0|2,0,0]=3 3820 B10R1.17 FCCCN1CC=CCC1 269982a_100000698166_100011934791 [0,0,0,1,0,0|2,0,0]=3 3821 B10R1.17 FCCCN1CC=CCC1 34a_100000698166_100011934791 [0,0,0,1,0,0|2,0,0]=3 3822 B10R1.17 FCCOC1CC=CCC1 34a_100000073881_100011217306 [0,0,0,1,0,0|2,0,0]=3 3823 B10R1.17 FCCOC1CCCCO1 34a_100000033831_100011217306 [0,0,0,1,0,0|2,0,1]=4 3824 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [0,0,0,1,0,0|2,0,1]=4 3825 B10R1.17 FCOCC1CC=CCC1 34a_100000210713_100015361967 [0,0,0,1,0,0|2,0,0]=3 3826 B10R1.17 FCOCC1CCC=CO1 34a_100011217868_100015361967 [0,0,0,1,0,0|3,0,0]=4 3827 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [0,0,0,1,0,0|2,0,1]=4 3828 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [0,0,0,1,0,0|2,0,1]=4 3829 B10R1.17 FCSCC1CCCCO1 62a_100000211543_100015361967 [0,0,0,1,0,0|2,0,1]=4 3830 B10R1.17 FCSCC1CCCCO1 62a_100015361967_100000211543 [0,0,0,1,0,0|2,0,1]=4 3831 B10R1.17 N#CCCN1CC=CCC1 2230a_100000698166_100011215226 [0,0,0,1,0,0|2,0,1]=4 3832 B10R1.17 N#CCCN1CC=CCC1 269982a_100000698166_100011215226 [0,0,0,1,0,0|2,0,1]=4 3833 B10R1.17 O=CCOC1CC=CCC1 34a_100000073881_200009817547 [0,0,0,1,0,0|1,0,2]=4 3834 B10R1.17 OCCCN1CC=CCC1 2230a_100000698166_100000230001 [0,0,0,1,0,0|1,0,0]=2 3835 B10R1.17 OCCCN1CC=CCC1 269982a_100000698166_100011215043 [0,0,0,1,0,0|1,0,0]=2 3836 B10R1.17 OCCCN1CC=CCC1 34a_100000698166_100000230001 [0,0,0,1,0,0|1,0,0]=2 3837 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [0,0,0,1,0,0|2,0,1]=4 3838 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [0,0,0,1,0,0|2,0,1]=4 3839 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [0,0,0,1,0,0|2,0,1]=4 3840 B10R1.17 OCCCN1CCOCC1 2230a_100015191051_100000230001 [0,0,0,1,0,0|2,0,1]=4 3841 B10R1.17 OCCCN1CCOCC1 269982a_100015191051_100011215043 [0,0,0,1,0,0|2,0,1]=4 3842 B10R1.17 OCCCN1CCOCC1 34a_100015191051_100000230001 [0,0,0,1,0,0|2,0,1]=4 3843 B10R1.17 OCCCN1CCSCC1 2230a_100000737611_100000230001 [0,0,0,1,0,0|2,0,1]=4 3844 B10R1.17 OCCCN1CCSCC1 269982a_100000737611_100011215043 [0,0,0,1,0,0|2,0,1]=4 3845 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [0,0,0,1,0,0|1,0,2]=4 3846 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,0,0,1,0,0|1,0,2]=4 3847 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,0,0,1,0,0|1,0,2]=4 3848 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,0,0,1,0,0|1,0,2]=4 3849 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,0,0,1,0,0|1,0,2]=4 3850 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [0,0,0,1,0,0|2,0,1]=4 3851 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [0,0,0,1,0,0|2,0,1]=4 3852 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [0,0,0,1,0,0|2,0,1]=4 3853 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [0,0,0,1,0,0|2,0,1]=4 3854 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [0,0,0,1,0,0|2,0,1]=4 3855 B10R1.17 OCCNC1CCNCC1 270004a_100000210304_100015192401 [0,0,0,1,0,0|2,0,1]=4 3856 B10R1.17 OCCNC1CCOCC1 2230a_100000741149_100000211926 [0,0,0,1,0,0|2,0,1]=4 3857 B10R1.17 OCCNC1CCOCC1 270004a_100000210304_100011217826 [0,0,0,1,0,0|2,0,1]=4 3858 B10R1.17 OCCNC1CCOCC1 34a_100000741149_100000211926 [0,0,0,1,0,0|2,0,1]=4 3859 B10R1.17 OCCNC1CCSCC1 2230a_100000748639_100000211926 [0,0,0,1,0,0|2,0,1]=4 3860 B10R1.17 OCCNC1CCSCC1 270004a_100000210304_100000203788 [0,0,0,1,0,0|2,0,1]=4 3861 B10R1.17 OCCNC1CCSCC1 34a_100000748639_100000211926 [0,0,0,1,0,0|2,0,1]=4 3862 B10R1.17 OCCNC1CCSCC1 34a_100016990907_100000069128 [0,0,0,1,0,0|2,0,1]=4 3863 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [0,0,0,1,0,0|1,0,2]=4 3864 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [0,0,0,1,0,0|1,0,0]=2 3865 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,0,0,1,0,0|1,0,2]=4 3866 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,0,0,1,0,0|1,0,2]=4 3867 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [0,0,0,1,0,0|2,0,1]=4 3868 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [0,0,0,1,0,0|2,0,1]=4 3869 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [0,0,0,1,0,0|2,0,1]=4 3870 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [0,0,0,1,0,0|2,0,1]=4 3871 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [0,0,0,1,0,0|2,0,1]=4 3872 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [0,0,0,1,0,0|2,0,1]=4 3873 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [0,0,0,1,0,0|1,0,2]=4 3874 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [0,0,0,1,0,0|1,0,2]=4 3875 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,0,0,1,0,0|1,0,2]=4 3876 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,0,0,1,0,0|1,0,2]=4 3877 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [0,0,0,1,0,0|2,0,1]=4 3878 B10R1.17 OCCSC1CCOCC1 62a_100000211926_100011324220 [0,0,0,1,0,0|2,0,1]=4 3879 B10R1.17 OCCSC1CCSCC1 62a_100000211926_100000069128 [0,0,0,1,0,0|2,0,1]=4 3880 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,0,0,1,0,0|1,0,2]=4 3881 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,0,0,1,0,0|1,0,2]=4 3882 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [0,0,0,1,0,0|2,0,1]=4 3883 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [0,0,0,1,0,0|2,0,1]=4 3884 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [0,0,0,1,0,0|2,0,1]=4 3885 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,0,0,1,0,0|1,0,1]=3 3886 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,0,0,1,0,0|1,0,1]=3 3887 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,0,0,1,0,0|1,0,1]=3 3888 B10R1.20 CCN1CCOC[C@H]1CO 2230a_100000717676_100000210202 [0,0,0,1,0,0|2,0,1]=4 3889 B10R1.20 CCN1CCOC[C@H]1CO 269982a_100000717676_100000204670 [0,0,0,1,0,0|2,0,1]=4 3890 B10R1.20 CCN1CCOC[C@H]1CO 34a_100000717676_100000210202 [0,0,0,1,0,0|2,0,1]=4 3891 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [0,0,0,1,0,0|1,0,2]=4 3892 B10R1.20 OCC1CCCCN1CF 269982a_100000210821_100015361967 [0,0,0,1,0,0|2,0,1]=4 3893 B10R1.20 OCC1CCCCN1CF 34a_100000210821_100015361967 [0,0,0,1,0,0|2,0,1]=4 3894 B10R1.21 C/C=C/COC1CCCO1 34a_100000085407_100102629194 [0,0,0,1,0,0|1,0,2]=4 3895 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [0,0,0,1,0,0|2,0,0]=3 3896 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [0,0,0,1,0,0|2,0,0]=3 3897 B10R1.21 CC/C=C\CN1CCSC1 2230a_100011215254_100103147603 [0,0,0,1,0,0|3,0,0]=4 3898 B10R1.21 CC/C=C\CN1CCSC1 269982a_100011215254_100103147603 [0,0,0,1,0,0|3,0,0]=4 3899 B10R1.21 CC=CCOC1CCCO1 34a_100000085407_100000070051 [0,0,0,1,0,0|1,0,2]=4 3900 B10R1.21 CCC=NNC1CCCC1 4a_100000737850_100000210100 [0,0,0,1,0,0|3,0,0]=4 3901 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,0,0,1,0,0|1,0,2]=4 3902 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [0,0,0,1,0,0|2,0,1]=4 3903 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [0,0,0,1,0,0|2,0,1]=4 3904 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [0,0,0,1,0,0|2,0,1]=4 3905 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [0,0,0,1,0,0|2,0,1]=4 3906 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [0,0,0,1,0,0|2,0,1]=4 3907 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,0,0,1,0,0|1,0,1]=3 3908 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,0,0,1,0,0|1,0,1]=3 3909 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,0,0,1,0,0|2,0,1]=4 3910 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,0,0,1,0,0|2,0,1]=4 3911 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,0,0,1,0,0|2,0,1]=4 3912 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,0,0,1,0,0|1,0,1]=3 3913 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,0,0,1,0,0|1,0,1]=3 3914 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [0,0,0,1,0,0|2,0,1]=4 3915 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [0,0,0,1,0,0|2,0,1]=4 3916 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [0,0,0,1,0,0|2,0,1]=4 3917 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,0,0,1,0,0|2,0,1]=4 3918 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [0,0,0,1,0,0|2,0,1]=4 3919 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [0,0,0,1,0,0|2,0,1]=4 3920 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,0,0,1,0,0|1,0,1]=3 3921 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,0,0,1,0,0|1,0,1]=3 3922 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [0,0,0,1,0,0|2,0,1]=4 3923 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [0,0,0,1,0,0|2,0,1]=4 3924 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [0,0,0,1,0,0|2,0,1]=4 3925 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [0,0,0,1,0,0|2,0,1]=4 3926 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [0,0,0,1,0,0|2,0,1]=4 3927 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [0,0,0,1,0,0|2,0,1]=4 3928 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [0,0,0,1,0,0|2,0,1]=4 3929 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [0,0,0,1,0,0|2,0,1]=4 3930 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,0,0,1,0,0|2,0,1]=4 3931 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,0,0,1,0,0|2,0,1]=4 3932 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,0,0,1,0,0|2,0,1]=4 3933 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [0,0,0,1,0,0|2,0,1]=4 3934 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [0,0,0,1,0,0|2,0,1]=4 3935 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [0,0,0,1,0,0|2,0,1]=4 3936 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,0,0,1,0,0|2,0,1]=4 3937 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [0,0,0,1,0,0|2,0,1]=4 3938 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [0,0,0,1,0,0|2,0,1]=4 3939 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [0,0,0,1,0,0|2,0,1]=4 3940 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [0,0,0,1,0,0|2,0,1]=4 3941 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [0,0,0,1,0,0|2,0,1]=4 3942 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [0,0,0,1,0,0|2,0,1]=4 3943 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [0,0,0,1,0,0|2,0,1]=4 3944 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [0,0,0,1,0,0|2,0,1]=4 3945 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [0,0,0,1,0,0|2,0,1]=4 3946 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [0,0,0,1,0,0|2,0,1]=4 3947 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [0,0,0,1,0,0|2,0,1]=4 3948 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [0,0,0,1,0,0|2,0,1]=4 3949 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [0,0,0,1,0,0|2,0,1]=4 3950 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [0,0,0,1,0,0|2,0,1]=4 3951 B10R1.21 OCCCCN1CC=CC1 269982a_100015195280_100000210776 [0,0,0,1,0,0|1,0,2]=4 3952 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [0,0,0,1,0,0|1,0,2]=4 3953 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [0,0,0,1,0,0|1,0,2]=4 3954 B10R1.21 OCCCCN1CCSC1 2230a_100011215254_100000210776 [0,0,0,1,0,0|2,0,1]=4 3955 B10R1.21 OCCCCN1CCSC1 269982a_100011215254_100000210776 [0,0,0,1,0,0|2,0,1]=4 3956 B10R1.21 OCCCNC1CC=CC1 2230a_100015188752_100000230001 [0,0,0,1,0,0|1,0,2]=4 3957 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [0,0,0,1,0,0|1,0,2]=4 3958 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [0,0,0,1,0,0|1,0,2]=4 3959 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [0,0,0,1,0,0|1,0,2]=4 3960 B10R1.21 OCCCNC1CCOC1 270004a_100000182051_100000752484 [0,0,0,1,0,0|2,0,1]=4 3961 B10R1.21 OCCCNC1CCSC1 270004a_100000182051_100000212027 [0,0,0,1,0,0|2,0,1]=4 3962 B10R1.21 OCCCN[C@@H]1CCOC1 2230a_200015188469_100000230001 [0,0,0,1,0,0|2,0,1]=4 3963 B10R1.21 OCCCN[C@H]1CCOC1 2230a_100015188467_100000230001 [0,0,0,1,0,0|2,0,1]=4 3964 B10R1.21 OCCCN[C@H]1CCOC1 34a_100015188467_100000230001 [0,0,0,1,0,0|2,0,1]=4 3965 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,0,0,1,0,0|1,0,2]=4 3966 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,0,0,1,0,0|1,0,2]=4 3967 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [0,0,0,1,0,0|2,0,1]=4 3968 B10R1.21 OCCCOC1CCSC1 7a_100011232664_100011215043 [0,0,0,1,0,0|2,0,1]=4 3969 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [0,0,0,1,0,0|2,0,1]=4 3970 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [0,0,0,1,0,0|1,0,2]=4 3971 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [0,0,0,1,0,0|1,0,2]=4 3972 B10R1.21 OCCCSC1CCOC1 62a_100011215043_100000690089 [0,0,0,1,0,0|2,0,1]=4 3973 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,0,0,1,0,0|1,0,2]=4 3974 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,0,0,1,0,0|1,0,2]=4 3975 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,0,0,1,0,0|1,0,2]=4 3976 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,0,0,1,0,0|1,0,2]=4 3977 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,0,0,1,0,0|1,0,2]=4 3978 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [0,0,0,1,0,0|2,0,1]=4 3979 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [0,0,0,1,0,0|2,0,1]=4 3980 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [0,0,0,1,0,0|2,0,1]=4 3981 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [0,0,0,1,0,0|2,0,1]=4 3982 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [0,0,0,1,0,0|2,0,1]=4 3983 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [0,0,0,1,0,0|2,0,1]=4 3984 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [0,0,0,1,0,0|2,0,1]=4 3985 B10R1.21 OCCNN=C1C=CCC1 4a_100000210001_100000239507 [0,0,0,1,0,0|2,0,1]=4 3986 B10R1.21 OCCOCC1CC=CC1 34a_100000688395_100000211926 [0,0,0,1,0,0|1,0,2]=4 3987 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,0,0,1,0,0|1,0,2]=4 3988 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,0,0,1,0,0|1,0,2]=4 3989 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [0,0,0,1,0,0|2,0,1]=4 3990 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [0,0,0,1,0,0|2,0,1]=4 3991 B10R1.21 OCCOCC1CCNC1 34a_100000748654_100000211926 [0,0,0,1,0,0|2,0,1]=4 3992 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [0,0,0,1,0,0|2,0,1]=4 3993 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [0,0,0,1,0,0|2,0,1]=4 3994 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,0,0,1,0,0|1,0,2]=4 3995 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,0,0,1,0,0|1,0,2]=4 3996 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [0,0,0,1,0,0|2,0,1]=4 3997 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [0,0,0,1,0,0|2,0,1]=4 3998 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [0,0,0,1,0,0|2,0,1]=4 3999 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [0,0,0,1,0,0|2,0,1]=4 4000 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,0,0,1,0,0|1,0,2]=4 4001 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,0,0,1,0,0|1,0,2]=4 4002 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,0,0,1,0,0|1,0,2]=4 4003 B10R1.29 CC1OCCC1NCCO 270004a_100000210304_100000691750 [0,0,0,1,0,0|2,0,1]=4 4004 B10R1.29 CC1SCCN1CCCO 2230a_200011216479_100000230001 [0,0,0,1,0,0|2,0,1]=4 4005 B10R1.29 CC1SCCN1CCCO 269982a_200011216479_100011215043 [0,0,0,1,0,0|2,0,1]=4 4006 B10R1.29 CC1SCCN1CCCO 34a_200011216479_100000230001 [0,0,0,1,0,0|2,0,1]=4 4007 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,0,0,1,0,0|2,0,1]=4 4008 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [0,0,0,1,0,0|2,0,1]=4 4009 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,0,0,1,0,0|2,0,1]=4 4010 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,0,0,1,0,0|2,0,1]=4 4011 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,0,0,1,0,0|2,0,1]=4 4012 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,0,0,1,0,0|2,0,1]=4 4013 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,0,0,1,0,0|2,0,1]=4 4014 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [0,0,0,1,0,0|2,0,1]=4 4015 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [0,0,0,1,0,0|2,0,1]=4 4016 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,0,0,1,0,0|1,0,1]=3 4017 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,0,0,1,0,0|1,0,1]=3 4018 B10R1.29 CCNN=C1CCCC1O 4a_100000756455_200000719330 [0,0,0,1,0,0|2,0,1]=4 4019 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_100000766300_200016002552 [0,0,0,1,0,0|2,0,1]=4 4020 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000766300 [0,0,0,1,0,0|2,0,1]=4 4021 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_100011218213_200016002552 [0,0,0,1,0,0|2,0,1]=4 4022 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218213 [0,0,0,1,0,0|2,0,1]=4 4023 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [0,0,0,1,0,0|1,0,2]=4 4024 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [0,0,0,1,0,0|1,0,2]=4 4025 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [0,0,0,1,0,0|1,0,2]=4 4026 B10R1.29 C[C@@H]1CNC[C@@H]1OCCO 34a_200015306588_100000211926 [0,0,0,1,0,0|2,0,1]=4 4027 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [0,0,0,1,0,0|1,0,2]=4 4028 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [0,0,0,1,0,0|1,0,2]=4 4029 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_100000211926_200016002552 [0,0,0,1,0,0|2,0,1]=4 4030 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211926 [0,0,0,1,0,0|2,0,1]=4 4031 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_100011217306_200016002552 [0,0,0,1,0,0|2,0,1]=4 4032 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_200016002552_100011217306 [0,0,0,1,0,0|2,0,1]=4 4033 B10R1.37 CC/C=C\CN1CCC1C 269982a_100000755817_100103147603 [0,0,0,1,0,0|2,0,0]=3 4034 B10R1.37 CC/C=C\CN1CCC1C 34a_100000755817_100103147603 [0,0,0,1,0,0|2,0,0]=3 4035 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,0,0,1,0,0|1,0,2]=4 4036 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,0,0,1,0,0|1,0,2]=4 4037 B10R1.56 CC/C=C\CN[C@@H]1C[C@@H]1F 2230a_100015190264_100103147603 [0,0,0,1,0,0|2,0,0]=3 4038 B10R1.56 CC/C=C\CN[C@@H]1C[C@H]1F 2230a_100025746932_100103147603 [0,0,0,1,0,0|2,0,0]=3 4039 B10R1.56 CC/C=C\CN[C@@H]1C[C@H]1F 34a_100025746932_100103147603 [0,0,0,1,0,0|2,0,0]=3 4040 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,0,0,1,0,0|1,0,2]=4 4041 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,0,0,1,0,0|1,0,2]=4 4042 B10R1.57 C/C=C/CNC[C@@H]1CCO1 34a_100020831831_100102629194 [0,0,0,1,0,0|1,0,2]=4 4043 B10R1.57 C/C=C/COCC1CCO1 34a_100000039022_100102629194 [0,0,0,1,0,0|1,0,2]=4 4044 B10R1.57 C/C=C/COCC1CCO1 34a_100016270725_100000103362 [0,0,0,1,0,0|1,0,2]=4 4045 B10R1.57 C/C=C/CSCC1CCO1 62a_100000103362_100102629194 [0,0,0,1,0,0|1,0,2]=4 4046 B10R1.57 C/C=C/CSCC1CCO1 62a_100102629194_100000103362 [0,0,0,1,0,0|1,0,2]=4 4047 B10R1.57 CC/C=C\CCN1CCC1 269982a_100000754969_100015370543 [0,0,0,1,0,0|2,0,0]=3 4048 B10R1.57 CC/C=C\CNC1CCC1 2230a_100000749019_100103147603 [0,0,0,1,0,0|2,0,0]=3 4049 B10R1.57 CC/C=C\CNC1CCC1 34a_100000749019_100103147603 [0,0,0,1,0,0|2,0,0]=3 4050 B10R1.57 CC/C=C\CNC1COC1 2230a_100016991112_100103147603 [0,0,0,1,0,0|3,0,0]=4 4051 B10R1.57 CC/C=C\COC1CCC1 34a_100000748187_100103147603 [0,0,0,1,0,0|2,0,0]=3 4052 B10R1.57 CC/C=C\COC1CCC1 34a_100016268518_100000749161 [0,0,0,1,0,0|2,0,0]=3 4053 B10R1.57 CC/C=C\COC1COC1 34a_100016268518_100009818527 [0,0,0,1,0,0|3,0,0]=4 4054 B10R1.57 CC/C=C\COC1CSC1 7a_100000072292_100103147603 [0,0,0,1,0,0|3,0,0]=4 4055 B10R1.57 CC/C=C\CSC1CCC1 62a_100103147603_100000749161 [0,0,0,1,0,0|2,0,0]=3 4056 B10R1.57 CC/C=C\CSC1COC1 62a_100103147603_100009818527 [0,0,0,1,0,0|3,0,0]=4 4057 B10R1.57 CC=CCNC[C@@H]1CCO1 2230a_100020831831_100000070051 [0,0,0,1,0,0|1,0,2]=4 4058 B10R1.57 CC=CCNC[C@@H]1CCO1 34a_100020831831_100000070051 [0,0,0,1,0,0|1,0,2]=4 4059 B10R1.57 CC=CCOCC1CCO1 34a_100000039022_100000070051 [0,0,0,1,0,0|1,0,2]=4 4060 B10R1.57 CC=CCSCC1CCO1 62a_100000070051_100000103362 [0,0,0,1,0,0|1,0,2]=4 4061 B10R1.57 CC=CCSCC1CCO1 62a_100000103362_100000070051 [0,0,0,1,0,0|1,0,2]=4 4062 B10R1.57 CCC=NNCC1CCC1 4a_200020586977_100000210100 [0,0,0,1,0,0|3,0,0]=4 4063 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,0,0,1,0,0|2,0,1]=4 4064 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,0,0,1,0,0|1,0,2]=4 4065 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,0,0,1,0,0|1,0,2]=4 4066 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,0,0,1,0,0|1,0,2]=4 4067 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,0,0,1,0,0|1,0,2]=4 4068 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,0,0,1,0,0|1,0,2]=4 4069 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,0,0,1,0,0|1,0,2]=4 4070 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,0,0,1,0,0|1,0,2]=4 4071 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,0,0,1,0,0|1,0,2]=4 4072 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,0,0,1,0,0|1,0,2]=4 4073 B10R1.57 CCOCSCC1CCO1 62a_100000103362_100000739092 [0,0,0,1,0,0|2,0,1]=4 4074 B10R1.57 CCOCSCC1CCO1 62a_100000739092_100000103362 [0,0,0,1,0,0|2,0,1]=4 4075 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,0,0,1,0,0|2,0,1]=4 4076 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,0,0,1,0,0|1,0,1]=3 4077 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,0,0,1,0,0|1,0,2]=4 4078 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,0,0,1,0,0|1,0,2]=4 4079 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,0,0,1,0,0|1,0,2]=4 4080 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,0,0,1,0,0|1,0,2]=4 4081 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,0,0,1,0,0|1,0,2]=4 4082 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,0,0,1,0,0|1,0,2]=4 4083 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,0,0,1,0,0|1,0,2]=4 4084 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,0,0,1,0,0|1,0,2]=4 4085 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,0,0,1,0,0|1,0,2]=4 4086 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,0,0,1,0,0|2,0,1]=4 4087 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,0,0,1,0,0|2,0,1]=4 4088 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,0,0,1,0,0|1,0,2]=4 4089 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,0,0,1,0,0|2,0,1]=4 4090 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,0,0,1,0,0|1,0,2]=4 4091 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,0,0,1,0,0|1,0,2]=4 4092 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,0,0,1,0,0|2,0,1]=4 4093 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,0,0,1,0,0|2,0,1]=4 4094 B10R1.57 OCCOCCN1CCC1 269982a_100000754969_100011215305 [0,0,0,1,0,0|2,0,1]=4 4095 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 4096 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 4097 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 4098 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,0,0,1,0,0|2,0,1]=4 4099 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,0,0,1,0,0|2,0,1]=4 4100 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,0,0,1,0,0|2,0,1]=4 4101 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,0,1,0,0|2,0,1]=4 4102 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,0,1,0,0|2,0,1]=4 4103 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,0,1,0,0|2,0,1]=4 4104 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,0,0,1,0,0|2,0,1]=4 4105 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,0,0,1,0,0|2,0,1]=4 4106 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,0,0,1,0,0|1,0,2]=4 4107 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,0,0,1,0,0|1,0,2]=4 4108 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,0,0,1,0,0|1,0,2]=4 4109 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [0,0,0,1,0,0|2,0,1]=4 4110 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [0,0,0,1,0,0|2,0,1]=4 4111 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [0,0,0,1,0,0|2,0,1]=4 4112 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,0,0,1,0,0|2,0,1]=4 4113 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,0,0,1,0,0|2,0,1]=4 4114 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,0,0,1,0,0|2,0,1]=4 4115 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [0,0,0,1,0,0|2,0,0]=3 4116 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [0,0,0,1,0,0|2,0,0]=3 4117 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [0,0,0,1,0,0|2,0,0]=3 4118 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [0,0,0,1,0,0|2,0,0]=3 4119 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [0,0,0,1,0,0|2,0,0]=3 4120 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [0,0,0,1,0,0|2,0,0]=3 4121 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [0,0,0,1,0,0|2,0,0]=3 4122 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [0,0,0,1,0,0|2,0,0]=3 4123 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [0,0,0,1,0,0|2,0,0]=3 4124 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,0,0,1,0,0|2,0,1]=4 4125 B10R1.177 BrCCOCCCC1CO1 34a_100000211926_100000733510 [0,0,0,1,0,0|2,0,1]=4 4126 B10R1.177 C/C=C/CCOCC1CO1 34a_100016278192_102125554688 [0,0,0,1,0,0|1,0,2]=4 4127 B10R1.177 C/C=C/COCCC1CO1 34a_100016270725_100000732470 [0,0,0,1,0,0|1,0,2]=4 4128 B10R1.177 C/C=C/COCC[C@@H]1CO1 34a_100009820653_100102629194 [0,0,0,1,0,0|1,0,2]=4 4129 B10R1.177 C/C=C/CSCCC1CO1 62a_100000732470_100102629194 [0,0,0,1,0,0|1,0,2]=4 4130 B10R1.177 C/C=C/CSCCC1CO1 62a_100102629194_100000732470 [0,0,0,1,0,0|1,0,2]=4 4131 B10R1.177 CC/C=C\CCNC1CC1 34a_100000212008_100015370543 [0,0,0,1,0,0|2,0,0]=3 4132 B10R1.177 CC/C=C\CCOC1CC1 34a_100016288707_100000211595 [0,0,0,1,0,0|2,0,0]=3 4133 B10R1.177 CC/C=C\CCSC1CC1 62a_100015370543_100000211595 [0,0,0,1,0,0|2,0,0]=3 4134 B10R1.177 CC/C=C\CNCC1CC1 2230a_100000735609_100103147603 [0,0,0,1,0,0|2,0,0]=3 4135 B10R1.177 CC/C=C\CNCC1CC1 34a_100000735609_100103147603 [0,0,0,1,0,0|2,0,0]=3 4136 B10R1.177 CC/C=C\COCC1CC1 34a_100000211283_100103147603 [0,0,0,1,0,0|2,0,0]=3 4137 B10R1.177 CC/C=C\COCC1CC1 34a_100016268518_100000742324 [0,0,0,1,0,0|2,0,0]=3 4138 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,0,0,1,0,0|1,0,0]=2 4139 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,0,0,1,0,0|1,0,0]=2 4140 B10R1.177 CC/C=C\CSCC1CC1 62a_100000756562_100103147603 [0,0,0,1,0,0|2,0,0]=3 4141 B10R1.177 CC/C=C\CSCC1CC1 62a_100103147603_100000742324 [0,0,0,1,0,0|2,0,0]=3 4142 B10R1.177 CC/C=C\CSCC1CO1 62a_100103147603_102125554688 [0,0,0,1,0,0|1,0,0]=2 4143 B10R1.177 CC/C=C\CSCC1CO1 62a_102125554688_100103147603 [0,0,0,1,0,0|1,0,0]=2 4144 B10R1.177 CC/C=C\CSCC1CS1 62a_100000031435_100103147603 [0,0,0,1,0,0|1,1,0]=3 4145 B10R1.177 CC/C=C\CSCC1CS1 62a_100103147603_100000031435 [0,0,0,1,0,0|1,1,0]=3 4146 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100000745022_100103147603 [0,0,0,1,0,0|1,0,0]=2 4147 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100103147603_100000745022 [0,0,0,1,0,0|1,0,0]=2 4148 B10R1.177 CC=CCOCC[C@@H]1CO1 34a_100009820653_100000070051 [0,0,0,1,0,0|1,0,2]=4 4149 B10R1.177 CC=CCSCCC1CO1 62a_100000070051_100000732470 [0,0,0,1,0,0|1,0,2]=4 4150 B10R1.177 CC=CCSCCC1CO1 62a_100000732470_100000070051 [0,0,0,1,0,0|1,0,2]=4 4151 B10R1.177 CCC#CCOCC1CO1 34a_100000032950_102125554688 [0,0,0,1,0,0|1,0,2]=4 4152 B10R1.177 CCC#CCOC[C@@H]1CO1 34a_100000757423_100009813939 [0,0,0,1,0,0|1,0,2]=4 4153 B10R1.177 CCC#CCSCC1CO1 62a_100009813939_102125554688 [0,0,0,1,0,0|1,0,2]=4 4154 B10R1.177 CCC#CCSCC1CO1 62a_102125554688_100009813939 [0,0,0,1,0,0|1,0,2]=4 4155 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100000745022_100009813939 [0,0,0,1,0,0|1,0,2]=4 4156 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100009813939_100000745022 [0,0,0,1,0,0|1,0,2]=4 4157 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,0,0,1,0,0|2,0,1]=4 4158 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,0,0,1,0,0|2,0,1]=4 4159 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,0,0,1,0,0|2,0,1]=4 4160 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,0,0,1,0,0|1,0,2]=4 4161 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,0,0,1,0,0|1,0,2]=4 4162 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,0,0,1,0,0|1,0,2]=4 4163 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,0,0,1,0,0|1,0,2]=4 4164 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,0,0,1,0,0|1,0,2]=4 4165 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,0,0,1,0,0|1,0,2]=4 4166 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,0,0,1,0,0|1,0,2]=4 4167 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,0,0,1,0,0|1,0,2]=4 4168 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,0,0,1,0,0|1,0,2]=4 4169 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,0,0,1,0,0|1,0,2]=4 4170 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,0,0,1,0,0|1,0,2]=4 4171 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,0,0,1,0,0|1,0,2]=4 4172 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,0,0,1,0,0|1,0,2]=4 4173 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,0,0,1,0,0|1,0,2]=4 4174 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,0,0,1,0,0|1,0,2]=4 4175 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,0,0,1,0,0|1,0,2]=4 4176 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,0,0,1,0,0|1,0,1]=3 4177 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,0,0,1,0,0|1,0,1]=3 4178 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,0,0,1,0,0|1,0,1]=3 4179 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [0,0,0,1,0,0|2,0,1]=4 4180 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [0,0,0,1,0,0|2,0,1]=4 4181 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [0,0,0,1,0,0|2,0,1]=4 4182 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [0,0,0,1,0,0|2,0,1]=4 4183 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [0,0,0,1,0,0|2,0,1]=4 4184 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [0,0,0,1,0,0|2,0,1]=4 4185 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [0,0,0,1,0,0|2,0,1]=4 4186 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [0,0,0,1,0,0|2,0,1]=4 4187 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [0,0,0,1,0,0|2,0,1]=4 4188 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [0,0,0,1,0,0|2,0,1]=4 4189 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [0,0,0,1,0,0|2,0,1]=4 4190 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [0,0,0,1,0,0|2,0,1]=4 4191 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [0,0,0,1,0,0|2,0,1]=4 4192 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [0,0,0,1,0,0|2,0,1]=4 4193 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [0,0,0,1,0,0|2,0,1]=4 4194 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [0,0,0,1,0,0|2,0,1]=4 4195 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [0,0,0,1,0,0|2,0,1]=4 4196 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [0,0,0,1,0,0|2,0,1]=4 4197 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [0,0,0,1,0,0|2,0,1]=4 4198 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [0,0,0,1,0,0|2,0,1]=4 4199 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [0,0,0,1,0,0|2,0,1]=4 4200 B10R1.177 COCSCCCC1CO1 62a_100000733510_100000766300 [0,0,0,1,0,0|2,0,1]=4 4201 B10R1.177 COCSCCCC1CO1 62a_100000766300_100000733510 [0,0,0,1,0,0|2,0,1]=4 4202 B10R1.177 CSCSCCCC1CO1 62a_100000733510_100011218213 [0,0,0,1,0,0|2,0,1]=4 4203 B10R1.177 CSCSCCCC1CO1 62a_100011218213_100000733510 [0,0,0,1,0,0|2,0,1]=4 4204 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,0,0,1,0,0|2,0,1]=4 4205 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [0,0,0,1,0,0|2,0,1]=4 4206 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [0,0,0,1,0,0|2,0,1]=4 4207 B10R1.177 FCCNCCCC1CO1 34a_100000724931_100000733510 [0,0,0,1,0,0|2,0,1]=4 4208 B10R1.177 FCCSCCCC1CO1 62a_100000733510_100011217306 [0,0,0,1,0,0|2,0,1]=4 4209 B10R1.177 FCCSCCCC1CO1 62a_100011217306_100000733510 [0,0,0,1,0,0|2,0,1]=4 4210 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,0,0,1,0,0|2,0,1]=4 4211 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|2,0,1]=4 4212 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [0,0,0,1,0,0|2,0,1]=4 4213 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,0,0,1,0,0|1,0,1]=3 4214 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|1,0,1]=3 4215 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,0,0,1,0,0|1,0,1]=3 4216 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,0,0,1,0,0|1,0,2]=4 4217 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,0,0,1,0,0|1,0,2]=4 4218 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,0,0,1,0,0|1,0,2]=4 4219 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,0,0,1,0,0|1,0,2]=4 4220 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|1,0,2]=4 4221 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,0,0,1,0,0|1,0,2]=4 4222 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,0,0,1,0,0|1,0,2]=4 4223 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,0,0,1,0,0|1,0,2]=4 4224 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,0,0,1,0,0|1,0,2]=4 4225 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,0,0,1,0,0|1,0,2]=4 4226 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,0,0,1,0,0|1,0,2]=4 4227 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,0,0,1,0,0|1,0,2]=4 4228 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,0,0,1,0,0|1,0,2]=4 4229 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [0,0,0,1,0,0|2,0,1]=4 4230 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [0,0,0,1,0,0|2,0,1]=4 4231 B10R1.177 OCCOCCNC1CC1 34a_100000211614_100000211595 [0,0,0,1,0,0|2,0,1]=4 4232 B10R1.177 OCCOCCNC1CC1 34a_100000212008_100000692535 [0,0,0,1,0,0|2,0,1]=4 4233 B10R1.177 OCCOCCNC1CC1 34a_100000738766_100000211926 [0,0,0,1,0,0|2,0,1]=4 4234 B10R1.177 OCCOCCSC1CC1 62a_100011215305_100000211595 [0,0,0,1,0,0|2,0,1]=4 4235 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [0,0,0,1,0,0|2,0,1]=4 4236 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [0,0,0,1,0,0|2,0,1]=4 4237 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|1,0,0]=3 4238 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [2,0,0,0,0,0|2,0,0]=4 4239 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [2,0,0,0,0,0|2,0,0]=4 4240 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [2,0,0,0,0,0|1,0,0]=3 4241 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [2,0,0,0,0,0|2,0,0]=4 4242 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|1,0,0]=3 4243 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|1,0,0]=3 4244 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [2,0,0,0,0,0|2,0,0]=4 4245 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [2,0,0,0,0,0|2,0,0]=4 4246 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [2,0,0,0,0,0|1,0,0]=3 4247 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [2,0,0,0,0,0|2,0,0]=4 4248 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|1,0,0]=3 4249 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|1,0,0]=3 4250 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [2,0,0,0,0,0|2,0,0]=4 4251 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [2,0,0,0,0,0|2,0,0]=4 4252 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [2,0,0,0,0,0|1,0,0]=3 4253 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [2,0,0,0,0,0|1,0,0]=3 4254 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [2,0,0,0,0,0|2,0,0]=4 4255 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [2,0,0,0,0,0|2,0,0]=4 4256 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [2,0,0,0,0,0|2,0,0]=4 4257 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [2,0,0,0,0,0|2,0,0]=4 4258 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|2,0,0]=4 4259 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|2,0,0]=4 4260 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|2,0,0]=4 4261 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|2,0,0]=4 4262 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|2,0,0]=4 4263 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|2,0,0]=4 4264 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|2,0,0]=4 4265 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|2,0,0]=4 4266 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|2,0,0]=4 4267 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|2,0,0]=4 4268 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|2,0,0]=4 4269 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|2,0,0]=4 4270 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|2,0,0]=4 4271 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|2,0,0]=4 4272 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|2,0,0]=4 4273 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|2,0,0]=4 4274 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|2,0,0]=4 4275 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|2,0,0]=4 4276 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|2,0,0]=4 4277 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [2,0,0,0,0,0|2,0,0]=4 4278 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|2,0,0]=4 4279 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|2,0,0]=4 4280 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|2,0,0]=4 4281 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [2,0,0,0,0,0|2,0,0]=4 4282 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [2,0,0,0,0,0|2,0,0]=4 4283 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|2,0,0]=4 4284 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|2,0,0]=4 4285 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [2,0,0,0,0,0|2,0,0]=4 4286 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [2,0,0,0,0,0|2,0,0]=4 4287 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|2,0,0]=4 4288 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [2,0,0,0,0,0|2,0,0]=4 4289 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [2,0,0,0,0,0|2,0,0]=4 4290 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [2,0,0,0,0,0|1,0,0]=3 4291 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [2,0,0,0,0,0|1,0,0]=3 4292 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [2,0,0,0,0,0|1,0,0]=3 4293 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [2,0,0,0,0,0|2,0,0]=4 4294 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|2,0,0]=4 4295 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|2,0,0]=4 4296 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [2,0,0,0,0,0|2,0,0]=4 4297 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [2,0,0,0,0,0|2,0,0]=4 4298 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [2,0,0,0,0,0|1,0,0]=3 4299 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|2,0,0]=4 4300 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|2,0,0]=4 4301 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [2,0,0,0,0,0|2,0,0]=4 4302 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [2,0,0,0,0,0|2,0,0]=4 4303 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [2,0,0,0,0,0|1,0,0]=3 4304 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [2,0,0,0,0,0|1,0,0]=3 4305 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|2,0,0]=4 4306 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|2,0,0]=4 4307 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|2,0,0]=4 4308 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [2,0,0,0,0,0|2,0,0]=4 4309 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [2,0,0,0,0,0|2,0,0]=4 4310 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [2,0,0,0,0,0|2,0,0]=4 4311 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [2,0,0,0,0,0|1,0,0]=3 4312 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [2,0,0,0,0,0|2,0,0]=4 4313 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|2,0,0]=4 4314 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|2,0,0]=4 4315 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|2,0,0]=4 4316 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [2,0,0,0,0,0|2,0,0]=4 4317 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [2,0,0,0,0,0|2,0,0]=4 4318 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [2,0,0,0,0,0|2,0,0]=4 4319 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [2,0,0,0,0,0|2,0,0]=4 4320 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [2,0,0,0,0,0|1,0,0]=3 4321 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|2,0,0]=4 4322 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|2,0,0]=4 4323 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [2,0,0,0,0,0|2,0,0]=4 4324 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [2,0,0,0,0,0|2,0,0]=4 4325 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [2,0,0,0,0,0|1,0,0]=3 4326 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [2,0,0,0,0,0|1,0,0]=3 4327 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|1,0,0]=3 4328 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|1,0,0]=3 4329 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|1,0,0]=3 4330 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|1,0,0]=3 4331 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|1,0,0]=3 4332 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|1,0,0]=3 4333 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|1,0,0]=3 4334 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|1,0,0]=3 4335 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|1,0,0]=3 4336 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|1,0,0]=3 4337 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|1,0,0]=3 4338 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|1,0,0]=3 4339 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,0]=3 4340 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|1,0,0]=3 4341 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|1,0,0]=3 4342 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [2,0,0,0,0,0|2,0,0]=4 4343 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|1,0,0]=3 4344 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|1,0,0]=3 4345 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [2,0,0,0,0,0|2,0,0]=4 4346 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [2,0,0,0,0,0|2,0,0]=4 4347 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|1,0,0]=3 4348 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|1,0,0]=3 4349 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [2,0,0,0,0,0|2,0,0]=4 4350 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [2,0,0,0,0,0|1,0,0]=3 4351 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [2,0,0,0,0,0|1,0,0]=3 4352 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [2,0,0,0,0,0|2,0,0]=4 4353 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|1,0,0]=3 4354 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [2,0,0,0,0,0|2,0,0]=4 4355 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|1,0,0]=3 4356 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|1,0,0]=3 4357 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [2,0,0,0,0,0|2,0,0]=4 4358 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [2,0,0,0,0,0|2,0,0]=4 4359 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [2,0,0,0,0,0|1,0,0]=3 4360 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [2,0,0,0,0,0|1,0,0]=3 4361 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [2,0,0,0,0,0|2,0,0]=4 4362 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [2,0,0,0,0,0|2,0,0]=4 4363 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [2,0,0,0,0,0|2,0,0]=4 4364 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [2,0,0,0,0,0|2,0,0]=4 4365 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [2,0,0,0,0,0|2,0,0]=4 4366 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [2,0,0,0,0,0|2,0,0]=4 4367 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [2,0,0,0,0,0|2,0,0]=4 4368 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,1]=4 4369 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 4370 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,1]=4 4371 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 4372 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,1]=4 4373 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 4374 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,1]=4 4375 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 4376 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 4377 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 4378 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,1]=4 4379 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,1]=4 4380 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,1]=4 4381 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,1]=4 4382 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 4383 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 4384 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 4385 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,0]=3 4386 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 4387 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 4388 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 4389 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,0]=3 4390 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,0]=3 4391 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 4392 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 4393 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 4394 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 4395 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 4396 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 4397 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 4398 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,0]=3 4399 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,0]=3 4400 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,0]=3 4401 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,0]=3 4402 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 4403 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 4404 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,1]=4 4405 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 4406 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 4407 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 4408 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 4409 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 4410 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 4411 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,1]=4 4412 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,1]=4 4413 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 4414 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 4415 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,0]=3 4416 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,0]=3 4417 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 4418 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 4419 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 4420 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 4421 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 4422 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 4423 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 4424 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,0]=3 4425 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 4426 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 4427 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,0]=3 4428 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,0]=3 4429 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|2,0,0]=4 4430 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|2,0,0]=4 4431 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 4432 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 4433 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,0]=3 4434 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 4435 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|2,0,0]=4 4436 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|2,0,0]=4 4437 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 4438 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|2,0,0]=4 4439 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 4440 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 4441 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|2,0,0]=4 4442 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|2,0,0]=4 4443 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 4444 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 4445 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 4446 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 4447 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 4448 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 4449 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 4450 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 4451 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,0]=3 4452 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 4453 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 4454 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 4455 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|2,0,0]=4 4456 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|2,0,0]=4 4457 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 4458 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 4459 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 4460 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|2,0,0]=4 4461 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 4462 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|2,0,0]=4 4463 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|2,0,0]=4 4464 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 4465 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 4466 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 4467 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 4468 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|2,0,0]=4 4469 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|2,0,0]=4 4470 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 4471 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|2,0,0]=4 4472 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|2,0,0]=4 4473 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 4474 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|2,0,0]=4 4475 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 4476 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 4477 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|2,0,0]=4 4478 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|2,0,0]=4 4479 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|2,0,0]=4 4480 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 4481 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|2,0,0]=4 4482 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|2,0,0]=4 4483 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 4484 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 4485 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,0]=3 4486 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 4487 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 4488 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|2,0,0]=4 4489 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|2,0,0]=4 4490 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 4491 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 4492 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 4493 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|2,0,0]=4 4494 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|2,0,0]=4 4495 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 4496 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 4497 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 4498 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 4499 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 4500 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 4501 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,0]=3 4502 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 4503 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 4504 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 4505 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 4506 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|2,0,0]=4 4507 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 4508 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [2,0,0,0,0,0|2,0,0]=4 4509 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 4510 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 4511 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4512 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4513 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 4514 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 4515 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 4516 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 4517 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,0]=3 4518 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [2,0,0,0,0,0|2,0,0]=4 4519 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [2,0,0,0,0,0|2,0,0]=4 4520 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [2,0,0,0,0,0|2,0,0]=4 4521 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|2,0,0]=4 4522 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|2,0,0]=4 4523 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [2,0,0,0,0,0|2,0,0]=4 4524 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [2,0,0,0,0,0|2,0,0]=4 4525 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [2,0,0,0,0,0|2,0,0]=4 4526 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [2,0,0,0,0,0|2,0,0]=4 4527 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 4528 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 4529 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,0]=3 4530 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,0]=3 4531 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [2,0,0,0,0,0|2,0,0]=4 4532 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [2,0,0,0,0,0|2,0,0]=4 4533 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [2,0,0,0,0,0|2,0,0]=4 4534 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 4535 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 4536 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|2,0,0]=4 4537 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 4538 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [2,0,0,0,0,0|2,0,0]=4 4539 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [2,0,0,0,0,0|2,0,0]=4 4540 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [2,0,0,0,0,0|2,0,0]=4 4541 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [2,0,0,0,0,0|2,0,0]=4 4542 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|2,0,0]=4 4543 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|2,0,0]=4 4544 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 4545 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 4546 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 4547 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 4548 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [2,0,0,0,0,0|2,0,0]=4 4549 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [2,0,0,0,0,0|2,0,0]=4 4550 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [2,0,0,0,0,0|2,0,0]=4 4551 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [2,0,0,0,0,0|2,0,0]=4 4552 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [2,0,0,0,0,0|2,0,0]=4 4553 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [2,0,0,0,0,0|2,0,0]=4 4554 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [2,0,0,0,0,0|2,0,0]=4 4555 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|2,0,0]=4 4556 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|2,0,0]=4 4557 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 4558 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [2,0,0,0,0,0|2,0,0]=4 4559 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 4560 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [2,0,0,0,0,0|2,0,0]=4 4561 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|2,0,0]=4 4562 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|2,0,0]=4 4563 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|2,0,0]=4 4564 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [2,0,0,0,0,0|2,0,0]=4 4565 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [2,0,0,0,0,0|2,0,0]=4 4566 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 4567 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 4568 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 4569 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 4570 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [2,0,0,0,0,0|2,0,0]=4 4571 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 4572 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 4573 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4574 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4575 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 4576 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 4577 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 4578 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 4579 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 4580 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,0]=3 4581 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,0]=3 4582 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 4583 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|2,0,0]=4 4584 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [1,1,0,0,0,0|2,0,0]=4 4585 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [1,1,0,0,0,0|1,0,0]=3 4586 B9R0.2 C/C=C/CCOCC(F)F 34a_100016278192_100011934356 [1,1,0,0,0,0|2,0,0]=4 4587 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [1,1,0,0,0,0|1,0,0]=3 4588 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [1,1,0,0,0,0|2,0,0]=4 4589 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [1,1,0,0,0,0|2,0,0]=4 4590 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [1,1,0,0,0,0|2,0,0]=4 4591 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [1,1,0,0,0,0|2,0,0]=4 4592 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [1,1,0,0,0,0|1,0,0]=3 4593 B9R0.2 C/C=C/COCCC(F)F 34a_100103093639_100102629194 [1,1,0,0,0,0|2,0,0]=4 4594 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [1,1,0,0,0,0|2,0,0]=4 4595 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [1,1,0,0,0,0|2,0,0]=4 4596 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [1,1,0,0,0,0|2,0,0]=4 4597 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [1,1,0,0,0,0|1,0,0]=3 4598 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [1,1,0,0,0,0|1,0,0]=3 4599 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,1,0,0,0,0|1,0,1]=4 4600 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,1,0,0,0,0|1,0,1]=4 4601 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,1,0,0,0,0|1,0,1]=4 4602 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,1,0,0,0,0|1,0,1]=4 4603 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,1,0,0,0,0|1,0,1]=4 4604 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [1,1,0,0,0,0|1,0,1]=4 4605 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [1,1,0,0,0,0|1,0,1]=4 4606 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,1,0,0,0,0|1,0,1]=4 4607 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [1,1,0,0,0,0|1,0,1]=4 4608 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [1,1,0,0,0,0|1,0,1]=4 4609 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,1,0,0,0,0|1,0,1]=4 4610 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,1,0,0,0,0|1,0,1]=4 4611 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [1,1,0,0,0,0|2,0,0]=4 4612 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [1,1,0,0,0,0|1,0,0]=3 4613 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [1,1,0,0,0,0|1,0,0]=3 4614 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [1,1,0,0,0,0|2,0,0]=4 4615 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [1,1,0,0,0,0|2,0,0]=4 4616 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [1,1,0,0,0,0|2,0,0]=4 4617 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [1,1,0,0,0,0|2,0,0]=4 4618 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [1,1,0,0,0,0|1,0,0]=3 4619 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [1,1,0,0,0,0|1,0,0]=3 4620 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [1,1,0,0,0,0|2,0,0]=4 4621 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [1,1,0,0,0,0|2,0,0]=4 4622 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [1,1,0,0,0,0|2,0,0]=4 4623 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [1,1,0,0,0,0|1,0,0]=3 4624 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [1,1,0,0,0,0|2,0,0]=4 4625 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [1,1,0,0,0,0|2,0,0]=4 4626 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [1,1,0,0,0,0|2,0,0]=4 4627 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [1,1,0,0,0,0|2,0,0]=4 4628 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [1,1,0,0,0,0|2,0,0]=4 4629 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [1,1,0,0,0,0|1,0,0]=3 4630 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [1,1,0,0,0,0|2,0,0]=4 4631 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [1,1,0,0,0,0|2,0,0]=4 4632 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [1,1,0,0,0,0|1,0,0]=3 4633 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [1,1,0,0,0,0|1,0,0]=3 4634 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,1]=4 4635 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|0,0,1]=3 4636 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|0,0,1]=3 4637 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|1,0,1]=4 4638 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 4639 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 4640 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|1,0,1]=4 4641 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|1,0,1]=4 4642 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|1,0,1]=4 4643 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|1,0,1]=4 4644 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|1,0,1]=4 4645 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|1,0,1]=4 4646 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|1,0,1]=4 4647 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|1,0,0]=3 4648 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,1,0,0,0,0|2,0,0]=4 4649 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,1,0,0,0,0|2,0,0]=4 4650 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,1,0,0,0,0|2,0,0]=4 4651 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,1,0,0,0,0|2,0,0]=4 4652 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,1,0,0,0,0|2,0,0]=4 4653 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,1,0,0,0,0|2,0,0]=4 4654 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,1,0,0,0,0|2,0,0]=4 4655 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,1,0,0,0,0|2,0,0]=4 4656 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,1,0,0,0,0|2,0,0]=4 4657 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,1,0,0,0,0|2,0,0]=4 4658 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,1,0,0,0,0|2,0,0]=4 4659 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,1,0,0,0,0|2,0,0]=4 4660 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,1,0,0,0,0|2,0,0]=4 4661 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,1,0,0,0,0|1,0,1]=4 4662 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,1,0,0,0,0|1,0,1]=4 4663 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|1,0,1]=4 4664 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|1,0,1]=4 4665 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|1,0,1]=4 4666 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|1,0,1]=4 4667 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|1,0,1]=4 4668 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|1,0,1]=4 4669 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|1,0,1]=4 4670 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|1,0,1]=4 4671 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,1,0,0,0,0|1,0,1]=4 4672 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,1,0,0,0,0|1,0,1]=4 4673 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,1,0,0,0,0|1,0,1]=4 4674 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,1,0,0,0,0|1,0,1]=4 4675 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,1,0,0,0,0|1,0,1]=4 4676 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,1,0,0,0,0|1,0,1]=4 4677 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,1,0,0,0,0|1,0,1]=4 4678 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,1,0,0,0,0|1,0,1]=4 4679 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,1,0,0,0,0|1,0,1]=4 4680 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,1,0,0,0,0|1,0,1]=4 4681 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,1,0,0,0,0|1,0,1]=4 4682 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,1,0,0,0,0|1,0,1]=4 4683 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,1,0,0,0,0|1,0,1]=4 4684 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 4685 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 4686 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,1,0,0,0,0|1,0,0]=3 4687 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,1,0,0,0,0|1,0,0]=3 4688 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,1,0,0,0,0|1,0,0]=3 4689 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,1,0,0,0,0|1,0,0]=3 4690 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 4691 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,1,0,0,0,0|2,0,0]=4 4692 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 4693 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,1,0,0,0,0|2,0,0]=4 4694 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,1,0,0,0,0|2,0,0]=4 4695 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [1,1,0,0,0,0|2,0,0]=4 4696 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 4697 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 4698 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 4699 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 4700 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,1,0,0,0,0|2,0,0]=4 4701 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 4702 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 4703 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 4704 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|1,0,0]=3 4705 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [1,1,0,0,0,0|2,0,0]=4 4706 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [1,1,0,0,0,0|2,0,0]=4 4707 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [1,1,0,0,0,0|2,0,0]=4 4708 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [1,1,0,0,0,0|2,0,0]=4 4709 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 4710 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,1,0,0,0,0|2,0,0]=4 4711 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 4712 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [1,1,0,0,0,0|2,0,0]=4 4713 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [1,1,0,0,0,0|2,0,0]=4 4714 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [1,1,0,0,0,0|2,0,0]=4 4715 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [1,1,0,0,0,0|2,0,0]=4 4716 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,1,0,0,0,0|2,0,0]=4 4717 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,1,0,0,0,0|2,0,0]=4 4718 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,1,0,0,0,0|1,0,0]=3 4719 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,1,0,0,0,0|1,0,0]=3 4720 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [1,1,0,0,0,0|2,0,0]=4 4721 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [1,1,0,0,0,0|2,0,0]=4 4722 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [1,1,0,0,0,0|2,0,0]=4 4723 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [1,1,0,0,0,0|2,0,0]=4 4724 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 4725 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,1,0,0,0,0|2,0,0]=4 4726 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,1,0,0,0,0|2,0,0]=4 4727 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 4728 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [1,1,0,0,0,0|2,0,0]=4 4729 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [1,1,0,0,0,0|2,0,0]=4 4730 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,1,0,0,0,0|1,0,1]=4 4731 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,1,0,0,0,0|1,0,1]=4 4732 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,1,0,0,0,0|1,0,1]=4 4733 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,1,0,0,0,0|1,0,1]=4 4734 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,1,0,0,0,0|1,0,1]=4 4735 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,1,0,0,0,0|1,0,1]=4 4736 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,1,0,0,0,0|1,0,1]=4 4737 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,1,0,0,0,0|1,0,1]=4 4738 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|1,0,1]=4 4739 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 4740 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,1]=4 4741 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 4742 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|1,0,1]=4 4743 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|1,0,1]=4 4744 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,1,0,0,0,0|1,0,0]=3 4745 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,1,0,0,0,0|1,0,0]=3 4746 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,1,0,0,0,0|1,0,0]=3 4747 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,1,0,0,0,0|1,0,0]=3 4748 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,1,0,0,0,0|1,0,0]=3 4749 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,1,0,0,0,0|1,0,0]=3 4750 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,1,0,0,0,0|1,0,0]=3 4751 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,1,0,0,0,0|1,0,1]=4 4752 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,1,0,0,0,0|1,0,0]=3 4753 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,1,0,0,0,0|1,0,0]=3 4754 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,1,0,0,0,0|1,0,0]=3 4755 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,1,0,0,0,0|1,0,0]=3 4756 B9R0.2 CC/C=C\CNCC(F)F 34a_100000765723_100103147603 [1,1,0,0,0,0|2,0,0]=4 4757 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,1,0,0,0,0|1,0,1]=4 4758 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|1,0,0]=3 4759 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|1,0,0]=3 4760 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|1,0,0]=3 4761 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|1,0,0]=3 4762 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|1,0,0]=3 4763 B9R0.2 CC/C=C\COCC(F)F 34a_100000743014_100103147603 [1,1,0,0,0,0|2,0,0]=4 4764 B9R0.2 CC/C=C\COCC(F)F 34a_100016268518_100011934356 [1,1,0,0,0,0|2,0,0]=4 4765 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|1,0,0]=3 4766 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|1,0,0]=3 4767 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|1,0,0]=3 4768 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,1,0,0,0,0|1,0,0]=3 4769 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,1,0,0,0,0|1,0,0]=3 4770 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,1,0,0,0,0|1,0,0]=3 4771 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,1,0,0,0,0|1,0,0]=3 4772 B9R0.2 CC/C=C\CSCC(F)F 62a_100011934356_100103147603 [1,1,0,0,0,0|2,0,0]=4 4773 B9R0.2 CC/C=C\CSCC(F)F 62a_100103147603_100011934356 [1,1,0,0,0,0|2,0,0]=4 4774 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,1,0,0,0,0|1,0,0]=3 4775 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,1,0,0,0,0|1,0,0]=3 4776 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [1,1,0,0,0,0|2,0,0]=4 4777 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [1,1,0,0,0,0|1,0,0]=3 4778 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [1,1,0,0,0,0|2,0,0]=4 4779 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [1,1,0,0,0,0|2,0,0]=4 4780 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [1,1,0,0,0,0|2,0,0]=4 4781 B9R0.2 CC=CCOCCC(F)F 34a_100103093639_100000070051 [1,1,0,0,0,0|2,0,0]=4 4782 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [1,1,0,0,0,0|2,0,0]=4 4783 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [1,1,0,0,0,0|2,0,0]=4 4784 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [1,1,0,0,0,0|2,0,0]=4 4785 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [1,1,0,0,0,0|1,0,0]=3 4786 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [1,1,0,0,0,0|1,0,0]=3 4787 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|0,0,1]=3 4788 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|0,0,1]=3 4789 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|1,0,1]=4 4790 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|1,0,1]=4 4791 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|1,0,1]=4 4792 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 4793 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 4794 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|2,0,0]=4 4795 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|2,0,0]=4 4796 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,1]=4 4797 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4798 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4799 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 4800 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|1,0,1]=4 4801 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 4802 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|1,0,1]=4 4803 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|1,0,1]=4 4804 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|1,0,1]=4 4805 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|1,0,1]=4 4806 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|1,0,1]=4 4807 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|1,0,1]=4 4808 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,1]=4 4809 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,1]=4 4810 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,1]=4 4811 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,1]=4 4812 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|1,0,1]=4 4813 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|1,0,1]=4 4814 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|1,0,1]=4 4815 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|1,0,1]=4 4816 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|1,0,1]=4 4817 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|1,0,1]=4 4818 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|1,0,1]=4 4819 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|1,0,1]=4 4820 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|1,0,1]=4 4821 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|1,0,1]=4 4822 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|1,0,1]=4 4823 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|1,0,1]=4 4824 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|1,0,1]=4 4825 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|1,0,1]=4 4826 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|1,0,1]=4 4827 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|1,0,1]=4 4828 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|1,0,1]=4 4829 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,1,0,0,0,0|2,0,0]=4 4830 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,1,0,0,0,0|2,0,0]=4 4831 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,1,0,0,0,0|2,0,0]=4 4832 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,1]=4 4833 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,1]=4 4834 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,1]=4 4835 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [1,1,0,0,0,0|2,0,0]=4 4836 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,1,0,0,0,0|2,0,0]=4 4837 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,1,0,0,0,0|2,0,0]=4 4838 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,1,0,0,0,0|2,0,0]=4 4839 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 4840 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 4841 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,1,0,0,0,0|2,0,0]=4 4842 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,1,0,0,0,0|2,0,0]=4 4843 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|1,0,1]=4 4844 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|1,0,1]=4 4845 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 4846 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 4847 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,1,0,0,0,0|2,0,0]=4 4848 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|1,0,1]=4 4849 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|1,0,1]=4 4850 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|1,0,1]=4 4851 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,1]=4 4852 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,1,0,0,0,0|2,0,0]=4 4853 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,1,0,0,0,0|2,0,0]=4 4854 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|1,0,1]=4 4855 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|1,0,1]=4 4856 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,0,1]=4 4857 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,0,1]=4 4858 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,1,0,0,0,0|2,0,0]=4 4859 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,1]=4 4860 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,1,0,0,0,0|2,0,0]=4 4861 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|1,0,1]=4 4862 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|1,0,1]=4 4863 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|1,0,1]=4 4864 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|2,0,0]=4 4865 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 4866 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|2,0,0]=4 4867 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 4868 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 4869 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 4870 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 4871 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 4872 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 4873 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 4874 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|2,0,0]=4 4875 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|2,0,0]=4 4876 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|2,0,0]=4 4877 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|2,0,0]=4 4878 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,1,0,0,0,0|2,0,0]=4 4879 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,1,0,0,0,0|2,0,0]=4 4880 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,1,0,0,0,0|2,0,0]=4 4881 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,1,0,0,0,0|2,0,0]=4 4882 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|1,0,1]=4 4883 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|1,0,1]=4 4884 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,1,0,0,0,0|2,0,0]=4 4885 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 4886 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 4887 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,1,0,0,0,0|2,0,0]=4 4888 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 4889 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 4890 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 4891 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 4892 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,1,0,0,0,0|2,0,0]=4 4893 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,1,0,0,0,0|2,0,0]=4 4894 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,1,0,0,0,0|2,0,0]=4 4895 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,1,0,0,0,0|2,0,0]=4 4896 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,1,0,0,0,0|1,0,1]=4 4897 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,1,0,0,0,0|1,0,1]=4 4898 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,1,0,0,0,0|1,0,1]=4 4899 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|1,0,1]=4 4900 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,1,0,0,0,0|1,0,1]=4 4901 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 4902 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 4903 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|1,0,1]=4 4904 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|1,0,1]=4 4905 B9R0.2 OCCNCCC=C(F)F 2230a_100016997473_200009816681 [1,1,0,0,0,0|2,0,0]=4 4906 B9R0.2 OCCNCCC=C(F)F 34a_100016990907_200009816681 [1,1,0,0,0,0|2,0,0]=4 4907 B9R0.2 OCCSCCC=C(F)F 62a_100000211926_200009816681 [1,1,0,0,0,0|2,0,0]=4 4908 B9R0.2 OCCSCCC=C(F)F 62a_200009816681_100000211926 [1,1,0,0,0,0|2,0,0]=4 4909 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|0,0,1]=3 4910 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [1,1,0,0,0,0|2,0,0]=4 4911 B9R0.5 C/C=C/C(C)OCCCF 34a_200102604097_100011934791 [1,1,0,0,0,0|2,0,0]=4 4912 B9R0.5 C/C=C/C(C)OCCCO 34a_200102604097_100000230001 [1,1,0,0,0,0|1,0,0]=3 4913 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [1,1,0,0,0,0|1,0,0]=3 4914 B9R0.5 C/C=C/COC(C)CCBr 34a_100012276601_100102629194 [1,1,0,0,0,0|2,0,0]=4 4915 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [1,1,0,0,0,0|2,0,0]=4 4916 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [1,1,0,0,0,0|2,0,0]=4 4917 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [1,1,0,0,0,0|2,0,0]=4 4918 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [1,1,0,0,0,0|1,0,0]=3 4919 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [1,1,0,0,0,0|2,0,0]=4 4920 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [1,1,0,0,0,0|2,0,0]=4 4921 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [1,1,0,0,0,0|1,0,0]=3 4922 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [1,1,0,0,0,0|1,0,0]=3 4923 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,1,0,0,0,0|0,0,2]=4 4924 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,1,0,0,0,0|0,0,2]=4 4925 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|0,0,1]=3 4926 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,1,0,0,0,0|1,0,1]=4 4927 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,1,0,0,0,0|0,0,1]=3 4928 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 4929 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 4930 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 4931 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|0,0,1]=3 4932 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,1,0,0,0,0|0,0,1]=3 4933 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [1,1,0,0,0,0|1,0,1]=4 4934 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [1,1,0,0,0,0|1,0,1]=4 4935 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [1,1,0,0,0,0|1,0,0]=3 4936 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [1,1,0,0,0,0|1,0,0]=3 4937 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [1,1,0,0,0,0|1,0,0]=3 4938 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [1,1,0,0,0,0|1,0,0]=3 4939 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|0,0,1]=3 4940 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,1,0,0,0,0|1,0,1]=4 4941 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,1,0,0,0,0|0,0,1]=3 4942 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,1,0,0,0,0|1,0,1]=4 4943 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,1,0,0,0,0|1,0,1]=4 4944 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,1,0,0,0,0|1,0,1]=4 4945 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 4946 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 4947 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 4948 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [1,1,0,0,0,0|1,0,1]=4 4949 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [1,1,0,0,0,0|2,0,0]=4 4950 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [1,1,0,0,0,0|1,0,0]=3 4951 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [1,1,0,0,0,0|1,0,0]=3 4952 B9R0.5 CC=CCOC(C)CCBr 34a_100012276601_100000070051 [1,1,0,0,0,0|2,0,0]=4 4953 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [1,1,0,0,0,0|2,0,0]=4 4954 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [1,1,0,0,0,0|2,0,0]=4 4955 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [1,1,0,0,0,0|2,0,0]=4 4956 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [1,1,0,0,0,0|2,0,0]=4 4957 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [1,1,0,0,0,0|1,0,0]=3 4958 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [1,1,0,0,0,0|1,0,0]=3 4959 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 4960 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,1]=3 4961 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,1]=3 4962 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|1,0,1]=4 4963 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|1,0,1]=4 4964 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|1,0,1]=4 4965 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,1]=4 4966 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,1]=4 4967 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,1]=4 4968 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,1]=4 4969 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|1,0,1]=4 4970 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,1]=4 4971 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|1,0,1]=4 4972 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|1,0,1]=4 4973 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|1,0,1]=4 4974 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|1,0,1]=4 4975 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|1,0,1]=4 4976 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|1,0,1]=4 4977 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|1,0,1]=4 4978 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|1,0,1]=4 4979 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|1,0,1]=4 4980 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,1]=4 4981 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,1]=4 4982 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,0,1]=4 4983 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,0,1]=4 4984 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|1,0,1]=4 4985 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|1,0,1]=4 4986 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|1,0,1]=4 4987 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|1,0,1]=4 4988 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|1,0,1]=4 4989 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|1,0,1]=4 4990 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,1,0,0,0,0|1,0,1]=4 4991 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,1,0,0,0,0|1,0,1]=4 4992 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,1,0,0,0,0|1,0,1]=4 4993 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,1]=3 4994 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,1]=3 4995 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,1]=4 4996 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|0,0,2]=4 4997 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|0,0,2]=4 4998 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 4999 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,1]=4 5000 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 5001 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,1]=4 5002 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,1]=4 5003 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,1]=4 5004 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,1]=4 5005 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,1]=4 5006 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,1]=4 5007 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,1]=4 5008 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 5009 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 5010 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 5011 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,1,0,0,0,0|2,0,0]=4 5012 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,1]=4 5013 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,1]=4 5014 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,1]=4 5015 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 5016 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,1]=4 5017 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 5018 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|1,0,1]=4 5019 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|1,0,1]=4 5020 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|1,0,1]=4 5021 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|1,0,1]=4 5022 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|1,0,1]=4 5023 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|1,0,1]=4 5024 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|1,0,1]=4 5025 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|1,0,1]=4 5026 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|1,0,1]=4 5027 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|1,0,1]=4 5028 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 5029 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|1,0,1]=4 5030 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|1,0,1]=4 5031 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 5032 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|1,0,1]=4 5033 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|1,0,1]=4 5034 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 5035 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 5036 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 5037 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 5038 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 5039 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 5040 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|2,0,0]=4 5041 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|2,0,0]=4 5042 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|2,0,0]=4 5043 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|2,0,0]=4 5044 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|2,0,0]=4 5045 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|2,0,0]=4 5046 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|1,0,1]=4 5047 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|1,0,1]=4 5048 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|1,0,1]=4 5049 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 5050 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 5051 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 5052 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,0,1]=4 5053 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 5054 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|1,0,1]=4 5055 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|1,0,1]=4 5056 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|1,0,1]=4 5057 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|1,0,1]=4 5058 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|2,0,0]=4 5059 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|1,0,1]=4 5060 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|1,0,1]=4 5061 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 5062 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 5063 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|2,0,0]=4 5064 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 5065 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|2,0,0]=4 5066 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|1,0,1]=4 5067 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 5068 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 5069 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,1]=4 5070 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|1,0,1]=4 5071 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|1,0,1]=4 5072 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|1,0,1]=4 5073 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 5074 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 5075 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 5076 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|2,0,0]=4 5077 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|2,0,0]=4 5078 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|2,0,0]=4 5079 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|2,0,0]=4 5080 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|1,0,1]=4 5081 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|1,0,1]=4 5082 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,1]=4 5083 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,1]=4 5084 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 5085 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 5086 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 5087 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 5088 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 5089 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 5090 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 5091 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 5092 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 5093 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 5094 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 5095 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 5096 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|2,0,0]=4 5097 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|2,0,0]=4 5098 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,1,0,0,0,0|2,0,0]=4 5099 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,1,0,0,0,0|2,0,0]=4 5100 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,1,0,0,0,0|2,0,0]=4 5101 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,1,0,0,0,0|2,0,0]=4 5102 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,1,0,0,0,0|2,0,0]=4 5103 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,1,0,0,0,0|2,0,0]=4 5104 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 5105 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,1,0,0,0,0|2,0,0]=4 5106 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 5107 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 5108 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|2,0,0]=4 5109 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|2,0,0]=4 5110 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|2,0,0]=4 5111 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|2,0,0]=4 5112 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|2,0,0]=4 5113 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|2,0,0]=4 5114 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|2,0,0]=4 5115 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|2,0,0]=4 5116 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|2,0,0]=4 5117 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|2,0,0]=4 5118 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|2,0,0]=4 5119 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|2,0,0]=4 5120 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|2,0,0]=4 5121 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|2,0,0]=4 5122 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|2,0,0]=4 5123 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,1,0,0,0,0|2,0,0]=4 5124 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,1,0,0,0,0|2,0,0]=4 5125 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,1,0,0,0,0|2,0,0]=4 5126 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,1,0,0,0,0|2,0,0]=4 5127 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|1,0,1]=4 5128 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|1,0,1]=4 5129 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|2,0,0]=4 5130 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 5131 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 5132 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [1,1,0,0,0,0|2,0,0]=4 5133 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [1,1,0,0,0,0|2,0,0]=4 5134 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|1,0,1]=4 5135 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|1,0,1]=4 5136 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 5137 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 5138 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|1,0,1]=4 5139 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|1,0,1]=4 5140 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [1,1,0,0,0,0|1,0,1]=4 5141 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [1,1,0,0,0,0|1,0,1]=4 5142 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [1,1,0,0,0,0|1,0,1]=4 5143 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|1,0,1]=4 5144 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,1]=4 5145 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,1]=4 5146 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|1,0,1]=4 5147 B9R0.18 C/C=C/CN(C)CCCC 269982a_100000207549_100102629194 [1,1,0,0,0,0|2,0,0]=4 5148 B9R0.18 C/C=C/CN(C)CCCO 269982a_100000213112_100102629194 [1,1,0,0,0,0|1,0,0]=3 5149 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|1,0,1]=4 5150 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|1,0,1]=4 5151 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [1,1,0,0,0,0|1,0,1]=4 5152 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [1,1,0,0,0,0|0,0,1]=3 5153 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [1,1,0,0,0,0|1,0,1]=4 5154 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [1,1,0,0,0,0|1,0,1]=4 5155 B9R0.18 CC=CCN(C)CCCC 2230a_100000207549_100000070051 [1,1,0,0,0,0|2,0,0]=4 5156 B9R0.18 CC=CCN(C)CCCO 2230a_100000213112_100000070051 [1,1,0,0,0,0|1,0,0]=3 5157 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|0,0,1]=3 5158 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|1,0,1]=4 5159 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|0,0,1]=3 5160 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|1,0,1]=4 5161 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|1,0,1]=4 5162 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,1,0,0,0,0|1,0,1]=4 5163 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,1,0,0,0,0|1,0,1]=4 5164 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,1,0,0,0,0|1,0,1]=4 5165 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [1,1,0,0,0,0|1,0,1]=4 5166 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,1,0,0,0,0|1,0,1]=4 5167 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,2]=4 5168 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 5169 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 5170 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|1,0,1]=4 5171 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|1,0,1]=4 5172 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|1,0,1]=4 5173 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|1,0,1]=4 5174 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|1,0,1]=4 5175 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|1,0,1]=4 5176 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,1]=4 5177 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 5178 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 5179 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 5180 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 5181 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|1,0,1]=4 5182 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|1,0,1]=4 5183 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,0,1]=4 5184 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,0,1]=4 5185 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|1,0,1]=4 5186 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|1,0,1]=4 5187 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|1,0,1]=4 5188 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|1,0,1]=4 5189 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 5190 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|1,0,0]=3 5191 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,0]=3 5192 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,1]=4 5193 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 5194 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 5195 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [1,1,0,0,0,0|2,0,0]=4 5196 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,0,1]=4 5197 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [1,1,0,0,0,0|2,0,0]=4 5198 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [1,1,0,0,0,0|1,0,1]=4 5199 B9R0.18 C[C@H](CCCO)CNCF 34a_100160569302_100015361967 [1,1,0,0,0,0|2,0,0]=4 5200 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [1,1,0,0,0,0|0,0,2]=4 5201 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,1,0,0,0,0|1,0,1]=4 5202 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,1,0,0,0,0|1,0,1]=4 5203 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [1,1,0,0,0,0|2,0,0]=4 5204 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [1,1,0,0,0,0|1,0,0]=3 5205 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [1,1,0,0,0,0|1,0,0]=3 5206 B9R0.46 C/C=C/CNC[C@@H](F)CO 34a_100015665980_100102629194 [1,1,0,0,0,0|1,0,0]=3 5207 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [1,1,0,0,0,0|2,0,0]=4 5208 B9R0.46 C/C=C/COCC(C)CN 34a_100000744482_100102629194 [1,1,0,0,0,0|2,0,0]=4 5209 B9R0.46 C/C=C/COCC(Cl)CCl 34a_100000033668_100102629194 [1,1,0,0,0,0|2,0,0]=4 5210 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [1,1,0,0,0,0|2,0,0]=4 5211 B9R0.46 C/C=C/COCC(O)CO 34a_100016270725_100011219619 [1,1,0,0,0,0|1,0,0]=3 5212 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [1,1,0,0,0,0|2,0,0]=4 5213 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [1,1,0,0,0,0|2,0,0]=4 5214 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [1,1,0,0,0,0|1,0,0]=3 5215 B9R0.46 C/C=C/COC[C@@H](O)CF 34a_100016270725_100015614560 [1,1,0,0,0,0|2,0,0]=4 5216 B9R0.46 C/C=C/COC[C@@H](O)CO 34a_100016270725_100009815848 [1,1,0,0,0,0|1,0,0]=3 5217 B9R0.46 C/C=C/COC[C@H](F)CN 34a_100015665980_100102629194 [1,1,0,0,0,0|2,0,0]=4 5218 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [1,1,0,0,0,0|2,0,0]=4 5219 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [1,1,0,0,0,0|2,0,0]=4 5220 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [1,1,0,0,0,0|2,0,0]=4 5221 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [1,1,0,0,0,0|2,0,0]=4 5222 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [1,1,0,0,0,0|1,0,0]=3 5223 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [1,1,0,0,0,0|1,0,0]=3 5224 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [1,1,0,0,0,0|2,0,0]=4 5225 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [1,1,0,0,0,0|2,0,0]=4 5226 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [1,1,0,0,0,0|1,0,0]=3 5227 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [1,1,0,0,0,0|1,0,0]=3 5228 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100015614560_100102629194 [1,1,0,0,0,0|2,0,0]=4 5229 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100102629194_100015614560 [1,1,0,0,0,0|2,0,0]=4 5230 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [1,1,0,0,0,0|1,0,0]=3 5231 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [1,1,0,0,0,0|1,0,0]=3 5232 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,1,0,0,0,0|1,0,1]=4 5233 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [1,1,0,0,0,0|1,0,1]=4 5234 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [1,1,0,0,0,0|0,0,1]=3 5235 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [1,1,0,0,0,0|1,0,1]=4 5236 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [1,1,0,0,0,0|1,0,1]=4 5237 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|1,0,1]=4 5238 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|1,0,1]=4 5239 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|0,0,1]=3 5240 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,1,0,0,0,0|0,0,1]=3 5241 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|1,0,0]=3 5242 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|1,0,0]=3 5243 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,1,0,0,0,0|1,0,0]=3 5244 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [1,1,0,0,0,0|1,0,0]=3 5245 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|1,0,0]=3 5246 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|1,0,0]=3 5247 B9R0.46 CC/C=C\COC(C)CF 34a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 5248 B9R0.46 CC/C=C\COC(C)CF 7a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 5249 B9R0.46 CC/C=C\COC(C)CN 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 5250 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [1,1,0,0,0,0|1,0,0]=3 5251 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,1,0,0,0,0|1,0,0]=3 5252 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,1,0,0,0,0|1,0,0]=3 5253 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [1,1,0,0,0,0|1,0,0]=3 5254 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [1,1,0,0,0,0|2,0,0]=4 5255 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [1,1,0,0,0,0|2,0,0]=4 5256 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [1,1,0,0,0,0|1,0,0]=3 5257 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [1,1,0,0,0,0|1,0,0]=3 5258 B9R0.46 CC=CCNCC(C)CC 2230a_100020588543_100000070051 [1,1,0,0,0,0|2,0,0]=4 5259 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [1,1,0,0,0,0|1,0,0]=3 5260 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [1,1,0,0,0,0|2,0,0]=4 5261 B9R0.46 CC=CCNC[C@@H](F)CO 34a_100015665980_100000070051 [1,1,0,0,0,0|1,0,0]=3 5262 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [1,1,0,0,0,0|1,0,0]=3 5263 B9R0.46 CC=CCOCC(C)CN 34a_100000744482_100000070051 [1,1,0,0,0,0|2,0,0]=4 5264 B9R0.46 CC=CCOCC(Cl)CCl 34a_100000033668_100000070051 [1,1,0,0,0,0|2,0,0]=4 5265 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [1,1,0,0,0,0|2,0,0]=4 5266 B9R0.46 CC=CCOC[C@H](F)CN 34a_100015665980_100000070051 [1,1,0,0,0,0|2,0,0]=4 5267 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [1,1,0,0,0,0|2,0,0]=4 5268 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [1,1,0,0,0,0|2,0,0]=4 5269 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [1,1,0,0,0,0|2,0,0]=4 5270 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [1,1,0,0,0,0|2,0,0]=4 5271 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [1,1,0,0,0,0|1,0,0]=3 5272 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [1,1,0,0,0,0|1,0,0]=3 5273 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [1,1,0,0,0,0|2,0,0]=4 5274 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [1,1,0,0,0,0|2,0,0]=4 5275 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [1,1,0,0,0,0|1,0,0]=3 5276 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [1,1,0,0,0,0|1,0,0]=3 5277 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100000070051_100015614560 [1,1,0,0,0,0|2,0,0]=4 5278 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100015614560_100000070051 [1,1,0,0,0,0|2,0,0]=4 5279 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [1,1,0,0,0,0|1,0,0]=3 5280 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [1,1,0,0,0,0|1,0,0]=3 5281 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,1,0,0,0,0|1,0,1]=4 5282 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,0]=3 5283 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|0,0,0]=2 5284 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|0,0,0]=2 5285 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|1,0,1]=4 5286 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|1,0,0]=3 5287 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|1,0,0]=3 5288 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,1,0,0,0,0|2,0,0]=4 5289 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,1,0,0,0,0|1,0,0]=3 5290 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [1,1,0,0,0,0|2,0,0]=4 5291 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [1,1,0,0,0,0|2,0,0]=4 5292 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,1,0,0,0,0|1,0,0]=3 5293 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,1,0,0,0,0|1,0,0]=3 5294 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,1,0,0,0,0|1,0,0]=3 5295 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,1,0,0,0,0|1,0,0]=3 5296 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,1,0,0,0,0|2,0,0]=4 5297 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,1,0,0,0,0|2,0,0]=4 5298 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,1,0,0,0,0|2,0,0]=4 5299 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,1,0,0,0,0|2,0,0]=4 5300 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,1,0,0,0,0|2,0,0]=4 5301 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,1,0,0,0,0|2,0,0]=4 5302 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,1,0,0,0,0|2,0,0]=4 5303 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|1,0,1]=4 5304 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|1,0,1]=4 5305 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,1,0,0,0,0|1,0,1]=4 5306 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,1,0,0,0,0|1,0,1]=4 5307 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,1,0,0,0,0|1,0,1]=4 5308 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,1,0,0,0,0|1,0,1]=4 5309 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,1,0,0,0,0|1,0,1]=4 5310 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,1,0,0,0,0|1,0,1]=4 5311 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,1]=4 5312 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,1]=4 5313 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,1,0,0,0,0|1,0,1]=4 5314 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,1,0,0,0,0|1,0,1]=4 5315 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,1,0,0,0,0|1,0,1]=4 5316 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,1,0,0,0,0|1,0,1]=4 5317 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,1,0,0,0,0|1,0,1]=4 5318 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [1,1,0,0,0,0|2,0,0]=4 5319 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,1,0,0,0,0|0,0,1]=3 5320 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [1,1,0,0,0,0|1,0,1]=4 5321 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,1,0,0,0,0|1,0,1]=4 5322 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,1,0,0,0,0|1,0,1]=4 5323 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,1,0,0,0,0|1,0,1]=4 5324 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|0,0,1]=3 5325 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|0,0,1]=3 5326 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|1,0,1]=4 5327 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|0,0,2]=4 5328 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|1,0,1]=4 5329 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 5330 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 5331 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 5332 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,1,0,0,0,0|1,0,1]=4 5333 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,1,0,0,0,0|1,0,1]=4 5334 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,1,0,0,0,0|1,0,1]=4 5335 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,1,0,0,0,0|1,0,1]=4 5336 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 5337 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 5338 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 5339 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 5340 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,1,0,0,0,0|2,0,0]=4 5341 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,1,0,0,0,0|2,0,0]=4 5342 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,1,0,0,0,0|2,0,0]=4 5343 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,1,0,0,0,0|2,0,0]=4 5344 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,1,0,0,0,0|2,0,0]=4 5345 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,1,0,0,0,0|2,0,0]=4 5346 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,1,0,0,0,0|2,0,0]=4 5347 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,1,0,0,0,0|2,0,0]=4 5348 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|1,0,1]=4 5349 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|1,0,1]=4 5350 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|1,0,1]=4 5351 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|1,0,1]=4 5352 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,1]=4 5353 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,1]=4 5354 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,1]=4 5355 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,1]=4 5356 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,1]=4 5357 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|1,0,1]=4 5358 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|1,0,1]=4 5359 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|1,0,1]=4 5360 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|1,0,1]=4 5361 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|1,0,1]=4 5362 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,1,0,0,0,0|1,0,1]=4 5363 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,1,0,0,0,0|1,0,1]=4 5364 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,1,0,0,0,0|1,0,1]=4 5365 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,1,0,0,0,0|1,0,1]=4 5366 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,1,0,0,0,0|1,0,1]=4 5367 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,1,0,0,0,0|1,0,1]=4 5368 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,1,0,0,0,0|1,0,1]=4 5369 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,1,0,0,0,0|1,0,1]=4 5370 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,1,0,0,0,0|1,0,1]=4 5371 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,1,0,0,0,0|1,0,1]=4 5372 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,1,0,0,0,0|2,0,0]=4 5373 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,1,0,0,0,0|1,0,1]=4 5374 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,1,0,0,0,0|1,0,1]=4 5375 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,1,0,0,0,0|1,0,1]=4 5376 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,1,0,0,0,0|1,0,1]=4 5377 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 5378 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 5379 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 5380 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 5381 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 5382 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 5383 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,1,0,0,0,0|1,0,1]=4 5384 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,1,0,0,0,0|1,0,1]=4 5385 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,1,0,0,0,0|1,0,1]=4 5386 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,1,0,0,0,0|1,0,1]=4 5387 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,1,0,0,0,0|1,0,1]=4 5388 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|1,0,1]=4 5389 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|1,0,1]=4 5390 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,1,0,0,0,0|1,0,1]=4 5391 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,1,0,0,0,0|1,0,1]=4 5392 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|1,0,1]=4 5393 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|1,0,1]=4 5394 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|1,0,1]=4 5395 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|1,0,1]=4 5396 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|1,0,1]=4 5397 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 5398 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 5399 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,1,0,0,0,0|1,0,0]=3 5400 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,1,0,0,0,0|1,0,0]=3 5401 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,1,0,0,0,0|1,0,0]=3 5402 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,1,0,0,0,0|1,0,0]=3 5403 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 5404 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [1,1,0,0,0,0|2,0,0]=4 5405 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 5406 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [1,1,0,0,0,0|2,0,0]=4 5407 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,1,0,0,0,0|2,0,0]=4 5408 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|1,0,1]=4 5409 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,1,0,0,0,0|1,0,1]=4 5410 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|1,0,1]=4 5411 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 5412 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,1,0,0,0,0|2,0,0]=4 5413 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,1,0,0,0,0|2,0,0]=4 5414 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,1,0,0,0,0|2,0,0]=4 5415 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,1,0,0,0,0|2,0,0]=4 5416 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,1,0,0,0,0|2,0,0]=4 5417 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,1,0,0,0,0|2,0,0]=4 5418 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [1,1,0,0,0,0|2,0,0]=4 5419 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [1,1,0,0,0,0|2,0,0]=4 5420 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [1,1,0,0,0,0|2,0,0]=4 5421 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|2,0,0]=4 5422 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 5423 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 5424 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [1,1,0,0,0,0|2,0,0]=4 5425 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [1,1,0,0,0,0|2,0,0]=4 5426 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [1,1,0,0,0,0|2,0,0]=4 5427 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [1,1,0,0,0,0|2,0,0]=4 5428 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [1,1,0,0,0,0|2,0,0]=4 5429 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [1,1,0,0,0,0|2,0,0]=4 5430 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [1,1,0,0,0,0|2,0,0]=4 5431 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [1,1,0,0,0,0|2,0,0]=4 5432 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [1,1,0,0,0,0|2,0,0]=4 5433 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,1,0,0,0,0|2,0,0]=4 5434 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,1,0,0,0,0|2,0,0]=4 5435 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,1,0,0,0,0|2,0,0]=4 5436 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,1,0,0,0,0|2,0,0]=4 5437 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [1,1,0,0,0,0|2,0,0]=4 5438 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [1,1,0,0,0,0|2,0,0]=4 5439 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 5440 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 5441 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [1,1,0,0,0,0|2,0,0]=4 5442 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [1,1,0,0,0,0|2,0,0]=4 5443 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [1,1,0,0,0,0|2,0,0]=4 5444 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,1,0,0,0,0|1,0,1]=4 5445 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,1,0,0,0,0|1,0,1]=4 5446 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,1,0,0,0,0|1,0,1]=4 5447 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [1,1,0,0,0,0|2,0,0]=4 5448 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,1,0,0,0,0|1,0,0]=3 5449 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [1,1,0,0,0,0|2,0,0]=4 5450 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [1,1,0,0,0,0|2,0,0]=4 5451 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [1,1,0,0,0,0|2,0,0]=4 5452 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [1,1,0,0,0,0|2,0,0]=4 5453 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [1,1,0,0,0,0|2,0,0]=4 5454 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [1,1,0,0,0,0|2,0,0]=4 5455 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [1,1,0,0,0,0|2,0,0]=4 5456 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [1,1,0,0,0,0|2,0,0]=4 5457 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [1,1,0,0,0,0|2,0,0]=4 5458 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [1,1,0,0,0,0|2,0,0]=4 5459 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,1,0,0,0,0|2,0,0]=4 5460 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [1,1,0,0,0,0|2,0,0]=4 5461 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [1,1,0,0,0,0|2,0,0]=4 5462 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,1,0,0,0,0|2,0,0]=4 5463 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,1,0,0,0,0|2,0,0]=4 5464 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,1,0,0,0,0|2,0,0]=4 5465 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,1,0,0,0,0|2,0,0]=4 5466 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,1,0,0,0,0|2,0,0]=4 5467 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,1,0,0,0,0|2,0,0]=4 5468 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [1,1,0,0,0,0|2,0,0]=4 5469 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [1,1,0,0,0,0|2,0,0]=4 5470 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [1,1,0,0,0,0|2,0,0]=4 5471 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [1,1,0,0,0,0|2,0,0]=4 5472 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [1,1,0,0,0,0|2,0,0]=4 5473 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [1,1,0,0,0,0|2,0,0]=4 5474 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,1,0,0,0,0|1,0,0]=3 5475 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [1,1,0,0,0,0|2,0,0]=4 5476 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,1,0,0,0,0|2,0,0]=4 5477 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,1,0,0,0,0|1,0,0]=3 5478 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,1,0,0,0,0|2,0,0]=4 5479 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,1,0,0,0,0|2,0,0]=4 5480 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,1,0,0,0,0|2,0,0]=4 5481 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,2,0,0,0,0|0,0,2]=4 5482 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [0,2,0,0,0,0|1,0,1]=4 5483 B11R0.2 CC(=CC(=O)CCCCCF)Cl 1458a_200042562850_100000729378 [0,2,0,0,0,0|1,0,1]=4 5484 B11R0.2 CC(=CC(=O)CCCCCF)I 1458a_100025716642_100000729378 [0,2,0,0,0,0|1,0,1]=4 5485 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [0,2,0,0,0,0|0,0,1]=3 5486 B11R0.2 CC(=CC(=O)CCCCCO)Cl 1458a_200042562850_100000746330 [0,2,0,0,0,0|0,0,1]=3 5487 B11R0.2 CC(=CC(=O)CCCCCO)I 1458a_100025716642_100000746330 [0,2,0,0,0,0|0,0,1]=3 5488 B11R0.2 CC(=CC(=O)CCOCCO)C 1458a_100000211388_100011215305 [0,2,0,0,0,0|1,0,1]=4 5489 B11R0.2 CC(=CC(=O)CCOCCO)Cl 1458a_200042562850_100011215305 [0,2,0,0,0,0|1,0,1]=4 5490 B11R0.2 CC(=CC(=O)CCOCCO)I 1458a_100025716642_100011215305 [0,2,0,0,0,0|1,0,1]=4 5491 B11R0.2 CC(=CC(=O)NCCCCO)C 240690a_100000750430_100000211388 [0,2,0,0,0,0|1,0,1]=4 5492 B11R0.2 CC(=CC(=O)NCCCCO)Cl 240690a_100000750430_200042562850 [0,2,0,0,0,0|1,0,1]=4 5493 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,2,0,0,0,0|1,0,1]=4 5494 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,2,0,0,0,0|0,0,1]=3 5495 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,2,0,0,0,0|0,0,1]=3 5496 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100000210554_100011215305 [0,2,0,0,0,0|1,0,1]=4 5497 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100011229844_100000210624 [0,2,0,0,0,0|1,0,1]=4 5498 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,2,0,0,0,0|1,0,1]=4 5499 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,2,0,0,0,0|1,0,1]=4 5500 B11R0.2 CC(C)CN(C)CCCCCO 2230a_100000722520_100000210760 [0,2,0,0,0,0|1,0,1]=4 5501 B11R0.2 CC(C)CN(C)CCCCCO 2230a_100000747067_100000746330 [0,2,0,0,0,0|1,0,1]=4 5502 B11R0.2 CC(C)CN(C)CCCCCO 269982a_100000722520_100000210624 [0,2,0,0,0,0|1,0,1]=4 5503 B11R0.2 CC(C)CN(C)CCCCCO 269982a_100000747067_100000746330 [0,2,0,0,0,0|1,0,1]=4 5504 B11R0.2 CC(C)CN(C)CCCCCO 270004a_100000722520_100000210432 [0,2,0,0,0,0|1,0,1]=4 5505 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,2,0,0,0,0|1,0,0]=3 5506 B11R0.2 CC(C)NC(=O)CCNCCO 2230a_100016997473_100000737564 [0,2,0,0,0,0|2,0,0]=4 5507 B11R0.2 CC(C)NC(=O)CCOCCO 1626a_100138425928_100011229844 [0,2,0,0,0,0|2,0,0]=4 5508 B11R0.2 CC(C)NC(=O)CCOCCO 240690a_100138425928_100011229844 [0,2,0,0,0,0|2,0,0]=4 5509 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000211926_100000737564 [0,2,0,0,0,0|2,0,0]=4 5510 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000737564_100000211926 [0,2,0,0,0,0|2,0,0]=4 5511 B11R0.2 CC(C)NC(=O)CNCCCO 2230a_100000168517_100000230001 [0,2,0,0,0,0|2,0,0]=4 5512 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100000183996_100011215043 [0,2,0,0,0,0|2,0,0]=4 5513 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100011215043_100000183996 [0,2,0,0,0,0|2,0,0]=4 5514 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100000750430_100138425928 [0,2,0,0,0,0|2,0,0]=4 5515 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 5516 B11R0.2 CC(C)NC(=O)NCCCCO 273464a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 5517 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100000750430_100138425928 [0,2,0,0,0,0|2,0,0]=4 5518 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 5519 B11R0.2 CC(C)OC(=O)CCNCCO 2230a_100016997473_100000760027 [0,2,0,0,0,0|2,0,0]=4 5520 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000211926_100000760027 [0,2,0,0,0,0|2,0,0]=4 5521 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000760027_100000211926 [0,2,0,0,0,0|2,0,0]=4 5522 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215043_100011215430 [0,2,0,0,0,0|2,0,0]=4 5523 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215430_100011215043 [0,2,0,0,0,0|2,0,0]=4 5524 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,2,0,0,0,0|0,0,1]=3 5525 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,2,0,0,0,0|1,0,1]=4 5526 B11R0.2 CC(O)CN(C)CCCCCO 2230a_100000227577_100000746330 [0,2,0,0,0,0|1,0,1]=4 5527 B11R0.2 CC(O)CN(C)CCCCCO 2230a_100000722520_100011218427 [0,2,0,0,0,0|1,0,1]=4 5528 B11R0.2 CC(O)CN(C)CCCCCO 269982a_100000227577_100000746330 [0,2,0,0,0,0|1,0,1]=4 5529 B11R0.2 CC(O)CN(C)CCCCCO 269982a_100000722520_100011218427 [0,2,0,0,0,0|1,0,1]=4 5530 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [0,2,0,0,0,0|1,0,1]=4 5531 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,2,0,0,0,0|0,0,1]=3 5532 B11R0.2 CC/C=C\CCN(C)CC(=O)O 269956a_100000746989_100015370543 [0,2,0,0,0,0|1,0,1]=4 5533 B11R0.2 CC/C=C\CCN(C)CC(C)C 2230a_100000747067_100015370543 [0,2,0,0,0,0|2,0,0]=4 5534 B11R0.2 CC/C=C\CCN(C)CC(C)C 269982a_100000747067_100015370543 [0,2,0,0,0,0|2,0,0]=4 5535 B11R0.2 CC/C=C\CCN(C)CC(C)O 2230a_100000227577_100015370543 [0,2,0,0,0,0|1,0,0]=3 5536 B11R0.2 CC/C=C\CCN(C)CC(C)O 269982a_100000227577_100015370543 [0,2,0,0,0,0|1,0,0]=3 5537 B11R0.2 CC/C=C\CNC(C)CC(C)C 2230a_100000692259_100103147603 [0,2,0,0,0,0|2,0,0]=4 5538 B11R0.2 CC/C=C\COC(C)CC(C)C 34a_100000211805_100103147603 [0,2,0,0,0,0|2,0,0]=4 5539 B11R0.2 CC/C=C\COC(C)CC(C)C 34a_100016268518_100000731052 [0,2,0,0,0,0|2,0,0]=4 5540 B11R0.2 CC/C=C\COC(C)CC(C)C 7a_100000211805_100103147603 [0,2,0,0,0,0|2,0,0]=4 5541 B11R0.2 CC/C=C\CSC(C)CC(C)C 62a_100000731052_100103147603 [0,2,0,0,0,0|2,0,0]=4 5542 B11R0.2 CC/C=C\CSC(C)CC(C)C 62a_100103147603_100000731052 [0,2,0,0,0,0|2,0,0]=4 5543 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,2,0,0,0,0|1,0,1]=4 5544 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,2,0,0,0,0|1,0,1]=4 5545 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,2,0,0,0,0|1,0,1]=4 5546 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,2,0,0,0,0|1,0,1]=4 5547 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,2,0,0,0,0|1,0,1]=4 5548 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|1,0,1]=4 5549 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|1,0,1]=4 5550 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,2,0,0,0,0|2,0,0]=4 5551 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,2,0,0,0,0|2,0,0]=4 5552 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,2,0,0,0,0|2,0,0]=4 5553 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,2,0,0,0,0|2,0,0]=4 5554 B11R0.2 CN(C)CC(=O)CCCCCO 1458a_100000750896_100000746330 [0,2,0,0,0,0|1,0,1]=4 5555 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,2,0,0,0,0|1,0,1]=4 5556 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,2,0,0,0,0|0,0,1]=3 5557 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,2,0,0,0,0|1,0,1]=4 5558 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,2,0,0,0,0|1,0,1]=4 5559 B11R0.2 C[C@@H](O)CN(C)CCCCCO 2230a_100000722520_100009817552 [0,2,0,0,0,0|1,0,1]=4 5560 B11R0.2 C[C@@H](O)CN(C)CCCCCO 269982a_100000722520_100009817552 [0,2,0,0,0,0|1,0,1]=4 5561 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,2,0,0,0,0|1,0,1]=4 5562 B11R0.2 O=C(C=C(Cl)Cl)CCCCCO 1458a_100000137448_100000746330 [0,2,0,0,0,0|1,0,1]=4 5563 B11R0.2 O=C(CCCCCO)CC(F)F 1458a_100102619762_100011934356 [0,2,0,0,0,0|1,0,1]=4 5564 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,2,0,0,0,0|0,0,2]=4 5565 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,2,0,0,0,0|0,0,2]=4 5566 B11R0.4 C#CCC(C)OCC/C=C\CC 34a_100000685586_100015370543 [0,2,0,0,0,0|1,0,1]=4 5567 B11R0.4 C#CCC(C)OCC/C=C\CC 7a_100000685586_100015370543 [0,2,0,0,0,0|1,0,1]=4 5568 B11R0.4 C#CCCCCCC(=O)C=CC 1458a_100000210699_100012094781 [0,2,0,0,0,0|1,0,1]=4 5569 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,2,0,0,0,0|1,0,1]=4 5570 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,2,0,0,0,0|1,0,1]=4 5571 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,2,0,0,0,0|2,0,0]=4 5572 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,2,0,0,0,0|2,0,0]=4 5573 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,2,0,0,0,0|2,0,0]=4 5574 B11R0.4 C/C=C/C(C)OCCCCCO 34a_200102604097_100000746330 [0,2,0,0,0,0|0,0,2]=4 5575 B11R0.4 C/C=C/C=C/COC(C)CCO 34a_100016283227_100009893172 [0,2,0,0,0,0|0,0,2]=4 5576 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,2,0,0,0,0|0,0,2]=4 5577 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,2,0,0,0,0|0,0,2]=4 5578 B11R0.4 C=CCC(=O)NCCCCCO 240690a_100000762737_100000210193 [0,2,0,0,0,0|1,0,1]=4 5579 B11R0.4 C=CCC(C)COC/C=C\CC 34a_100009832082_100103147603 [0,2,0,0,0,0|1,0,1]=4 5580 B11R0.4 C=CCC(C)COC/C=C\CC 7a_100009832082_100103147603 [0,2,0,0,0,0|1,0,1]=4 5581 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,2,0,0,0,0|1,0,1]=4 5582 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|1,0,1]=4 5583 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|1,0,1]=4 5584 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,2,0,0,0,0|2,0,0]=4 5585 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,2,0,0,0,0|2,0,0]=4 5586 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,2,0,0,0,0|2,0,0]=4 5587 B11R0.4 C=CC[C@@H](C)OCC/C=C\CC 34a_100000731007_100015370543 [0,2,0,0,0,0|1,0,1]=4 5588 B11R0.4 C=CC[C@@H](C)OCC/C=C\CC 7a_100000731007_100015370543 [0,2,0,0,0,0|1,0,1]=4 5589 B11R0.4 C=CC[C@@H](N)COC/C=C\CC 34a_100020615467_100103147603 [0,2,0,0,0,0|1,0,1]=4 5590 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,2,0,0,0,0|0,0,2]=4 5591 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [0,2,0,0,0,0|1,0,1]=4 5592 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,2,0,0,0,0|1,0,1]=4 5593 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,2,0,0,0,0|1,0,1]=4 5594 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,2,0,0,0,0|1,0,1]=4 5595 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,2,0,0,0,0|1,0,1]=4 5596 B11R0.4 CC/C=C\CCNC(C)CCC 2230a_100000741246_100015370543 [0,2,0,0,0,0|1,0,0]=3 5597 B11R0.4 CC/C=C\CCN[C@@H](C)CC#N 2230a_100016994482_100015370543 [0,2,0,0,0,0|1,0,1]=4 5598 B11R0.4 CC/C=C\CCN[C@H](C)CCO 2230a_100000706166_100015370543 [0,2,0,0,0,0|0,0,0]=2 5599 B11R0.4 CC/C=C\CCN[C@H](C)CCO 34a_100000706166_100015370543 [0,2,0,0,0,0|0,0,0]=2 5600 B11R0.4 CC/C=C\CCN[C@H](C)COC 2230a_100000764878_100015370543 [0,2,0,0,0,0|1,0,0]=3 5601 B11R0.4 CC/C=C\CCOC(C)CC#N 7a_100016288707_100009813641 [0,2,0,0,0,0|1,0,1]=4 5602 B11R0.4 CC/C=C\CCOC(C)CCBr 34a_100012276601_100015370543 [0,2,0,0,0,0|1,0,0]=3 5603 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [0,2,0,0,0,0|1,0,0]=3 5604 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [0,2,0,0,0,0|1,0,0]=3 5605 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [0,2,0,0,0,0|1,0,0]=3 5606 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [0,2,0,0,0,0|1,0,0]=3 5607 B11R0.4 CC/C=C\CCOC(C)CCO 34a_100016288707_100009893172 [0,2,0,0,0,0|0,0,0]=2 5608 B11R0.4 CC/C=C\CCOC(C)CCO 7a_100016288707_100009893172 [0,2,0,0,0,0|0,0,0]=2 5609 B11R0.4 CC/C=C\CCOC(C)COC 34a_100016288707_100000765312 [0,2,0,0,0,0|1,0,0]=3 5610 B11R0.4 CC/C=C\CCOC(C)COC 7a_100016288707_100000765312 [0,2,0,0,0,0|1,0,0]=3 5611 B11R0.4 CC/C=C\CCO[C@H](C)COC 34a_100011934205_100015370543 [0,2,0,0,0,0|1,0,0]=3 5612 B11R0.4 CC/C=C\CCSC(C)CC#N 62a_100009813641_100015370543 [0,2,0,0,0,0|1,0,1]=4 5613 B11R0.4 CC/C=C\CCSC(C)CC#N 62a_100015370543_100009813641 [0,2,0,0,0,0|1,0,1]=4 5614 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100000766640_100015370543 [0,2,0,0,0,0|1,0,0]=3 5615 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100015370543_100000766640 [0,2,0,0,0,0|1,0,0]=3 5616 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100009893172_100015370543 [0,2,0,0,0,0|0,0,0]=2 5617 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100015370543_100009893172 [0,2,0,0,0,0|0,0,0]=2 5618 B11R0.4 CC/C=C\CCSC(C)COC 62a_100000765312_100015370543 [0,2,0,0,0,0|1,0,0]=3 5619 B11R0.4 CC/C=C\CCSC(C)COC 62a_100015370543_100000765312 [0,2,0,0,0,0|1,0,0]=3 5620 B11R0.4 CC/C=C\CNCC(O)COC 2230a_100000756049_100103147603 [0,2,0,0,0,0|1,0,0]=3 5621 B11R0.4 CC/C=C\CNCC(O)COC 34a_100000756049_100103147603 [0,2,0,0,0,0|1,0,0]=3 5622 B11R0.4 CC/C=C\COCC(=O)NCO 34a_100016268518_100000185155 [0,2,0,0,0,0|1,0,1]=4 5623 B11R0.4 CC/C=C\COCC(C)CCC 34a_100000688023_100103147603 [0,2,0,0,0,0|1,0,0]=3 5624 B11R0.4 CC/C=C\COCC(C)CCC 34a_100016268518_100011216630 [0,2,0,0,0,0|1,0,0]=3 5625 B11R0.4 CC/C=C\COCC(C)CCC 7a_100000688023_100103147603 [0,2,0,0,0,0|1,0,0]=3 5626 B11R0.4 CC/C=C\COCC(C)CCN 34a_106354213184_100103147603 [0,2,0,0,0,0|1,0,0]=3 5627 B11R0.4 CC/C=C\COCC(N)COC 34a_100000724102_100103147603 [0,2,0,0,0,0|1,0,0]=3 5628 B11R0.4 CC/C=C\COCC(O)COC 34a_100016268518_100011215053 [0,2,0,0,0,0|1,0,0]=3 5629 B11R0.4 CC/C=C\COC[C@@H](N)CCC 34a_100000732646_100103147603 [0,2,0,0,0,0|1,0,0]=3 5630 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,2,0,0,0,0|1,0,1]=4 5631 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,2,0,0,0,0|1,0,1]=4 5632 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100000185155_100103147603 [0,2,0,0,0,0|1,0,1]=4 5633 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100103147603_100000185155 [0,2,0,0,0,0|1,0,1]=4 5634 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100011216630_100103147603 [0,2,0,0,0,0|1,0,0]=3 5635 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100103147603_100011216630 [0,2,0,0,0,0|1,0,0]=3 5636 B11R0.4 CC/C=C\CSCC(O)COC 62a_100011215053_100103147603 [0,2,0,0,0,0|1,0,0]=3 5637 B11R0.4 CC/C=C\CSCC(O)COC 62a_100103147603_100011215053 [0,2,0,0,0,0|1,0,0]=3 5638 B11R0.4 CC/C=C\CSC[C@@H](O)CC#N 62a_100000001066_100103147603 [0,2,0,0,0,0|1,0,1]=4 5639 B11R0.4 CC/C=C\CSC[C@@H](O)CC#N 62a_100103147603_100000001066 [0,2,0,0,0,0|1,0,1]=4 5640 B11R0.4 CC=C=CCCOC(C)CCO 34a_100011020354_100009893172 [0,2,0,0,0,0|0,0,2]=4 5641 B11R0.4 CC=CC(=O)CCCCCC#N 1458a_100000210699_100009813376 [0,2,0,0,0,0|1,0,1]=4 5642 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,2,0,0,0,0|1,0,1]=4 5643 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,2,0,0,0,0|1,0,1]=4 5644 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,2,0,0,0,0|0,0,1]=3 5645 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,2,0,0,0,0|1,0,1]=4 5646 B11R0.4 CC=CC(=O)CCOCCOC 1458a_100000210699_100000695917 [0,2,0,0,0,0|1,0,1]=4 5647 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,2,0,0,0,0|1,0,1]=4 5648 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,2,0,0,0,0|1,0,1]=4 5649 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,2,0,0,0,0|1,0,1]=4 5650 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,2,0,0,0,0|0,0,1]=3 5651 B11R0.4 CC=CC(=O)NCCOCCO 240690a_100000211614_100000210699 [0,2,0,0,0,0|1,0,1]=4 5652 B11R0.4 CC=CC(=O)NCCSCCO 240690a_100011219999_100000210699 [0,2,0,0,0,0|1,0,1]=4 5653 B11R0.4 CC=CCCCOC(C)CCO 34a_100020645299_100009893172 [0,2,0,0,0,0|0,0,2]=4 5654 B11R0.4 CCC#CCCOC(C)CCO 34a_100000036655_100009893172 [0,2,0,0,0,0|0,0,2]=4 5655 B11R0.4 CCC#CCCOC(C)CCO 7a_100000036655_100009893172 [0,2,0,0,0,0|0,0,2]=4 5656 B11R0.4 CCC/C=C/COC(C)CCC 34a_100016278788_100000766640 [0,2,0,0,0,0|2,0,0]=4 5657 B11R0.4 CCC/C=C/COC(C)CCC 7a_100016278788_100000766640 [0,2,0,0,0,0|2,0,0]=4 5658 B11R0.4 CCC/C=C/COC(C)CCO 34a_100016278788_100009893172 [0,2,0,0,0,0|1,0,0]=3 5659 B11R0.4 CCC/C=C/COC(C)CCO 7a_100016278788_100009893172 [0,2,0,0,0,0|1,0,0]=3 5660 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,2,0,0,0,0|1,0,1]=4 5661 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|1,0,1]=4 5662 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|0,0,1]=3 5663 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|0,0,1]=3 5664 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|0,0,1]=3 5665 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,2,0,0,0,0|1,0,1]=4 5666 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,2,0,0,0,0|1,0,1]=4 5667 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,2,0,0,0,0|0,0,1]=3 5668 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,2,0,0,0,0|1,0,1]=4 5669 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,2,0,0,0,0|1,0,1]=4 5670 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,2,0,0,0,0|1,0,1]=4 5671 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,2,0,0,0,0|1,0,1]=4 5672 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,2,0,0,0,0|0,0,1]=3 5673 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,2,0,0,0,0|0,0,1]=3 5674 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,2,0,0,0,0|1,0,1]=4 5675 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,2,0,0,0,0|1,0,1]=4 5676 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,2,0,0,0,0|0,0,1]=3 5677 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,2,0,0,0,0|1,0,1]=4 5678 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,2,0,0,0,0|1,0,1]=4 5679 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,2,0,0,0,0|1,0,1]=4 5680 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,2,0,0,0,0|1,0,1]=4 5681 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,2,0,0,0,0|0,0,2]=4 5682 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,2,0,0,0,0|0,0,2]=4 5683 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,2,0,0,0,0|0,0,2]=4 5684 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,2,0,0,0,0|0,0,2]=4 5685 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [0,2,0,0,0,0|0,0,2]=4 5686 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [0,2,0,0,0,0|0,0,2]=4 5687 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [0,2,0,0,0,0|0,0,2]=4 5688 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,2,0,0,0,0|0,0,2]=4 5689 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,2,0,0,0,0|0,0,2]=4 5690 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [0,2,0,0,0,0|0,0,2]=4 5691 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [0,2,0,0,0,0|0,0,2]=4 5692 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,2,0,0,0,0|0,0,2]=4 5693 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,2,0,0,0,0|0,0,2]=4 5694 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,2,0,0,0,0|0,0,2]=4 5695 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,2,0,0,0,0|0,0,2]=4 5696 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,2,0,0,0,0|0,0,2]=4 5697 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,2,0,0,0,0|0,0,2]=4 5698 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,2,0,0,0,0|0,0,2]=4 5699 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,2,0,0,0,0|0,0,2]=4 5700 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,2,0,0,0,0|1,0,1]=4 5701 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,2,0,0,0,0|1,0,1]=4 5702 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,2,0,0,0,0|1,0,1]=4 5703 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,2,0,0,0,0|1,0,1]=4 5704 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,2,0,0,0,0|1,0,1]=4 5705 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|1,0,1]=4 5706 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|1,0,1]=4 5707 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|1,0,1]=4 5708 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,2]=4 5709 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,2]=4 5710 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|1,0,1]=4 5711 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|1,0,1]=4 5712 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 5713 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 5714 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 5715 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|0,0,2]=4 5716 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|0,0,2]=4 5717 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|0,0,2]=4 5718 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|0,0,2]=4 5719 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 5720 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 5721 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 5722 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 5723 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,2,0,0,0,0|2,0,0]=4 5724 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,2,0,0,0,0|2,0,0]=4 5725 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,2,0,0,0,0|2,0,0]=4 5726 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,2,0,0,0,0|2,0,0]=4 5727 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,2,0,0,0,0|2,0,0]=4 5728 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,2,0,0,0,0|2,0,0]=4 5729 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,2,0,0,0,0|2,0,0]=4 5730 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,2,0,0,0,0|2,0,0]=4 5731 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,2,0,0,0,0|2,0,0]=4 5732 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,2,0,0,0,0|2,0,0]=4 5733 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,2,0,0,0,0|2,0,0]=4 5734 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,2,0,0,0,0|2,0,0]=4 5735 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,2,0,0,0,0|2,0,0]=4 5736 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,2,0,0,0,0|2,0,0]=4 5737 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,2,0,0,0,0|2,0,0]=4 5738 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,2,0,0,0,0|2,0,0]=4 5739 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,2,0,0,0,0|2,0,0]=4 5740 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,2,0,0,0,0|2,0,0]=4 5741 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,2,0,0,0,0|2,0,0]=4 5742 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,2,0,0,0,0|2,0,0]=4 5743 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,2,0,0,0,0|2,0,0]=4 5744 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,2,0,0,0,0|0,0,2]=4 5745 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,2,0,0,0,0|0,0,2]=4 5746 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,2,0,0,0,0|0,0,2]=4 5747 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|0,0,2]=4 5748 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|0,0,2]=4 5749 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,2,0,0,0,0|0,0,2]=4 5750 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,2,0,0,0,0|0,0,2]=4 5751 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,2,0,0,0,0|1,0,1]=4 5752 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,2,0,0,0,0|2,0,0]=4 5753 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,2,0,0,0,0|2,0,0]=4 5754 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,2,0,0,0,0|2,0,0]=4 5755 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,2,0,0,0,0|1,0,1]=4 5756 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,2,0,0,0,0|2,0,0]=4 5757 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,2,0,0,0,0|2,0,0]=4 5758 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,2,0,0,0,0|2,0,0]=4 5759 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,2,0,0,0,0|2,0,0]=4 5760 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,2,0,0,0,0|1,0,1]=4 5761 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,2,0,0,0,0|1,0,1]=4 5762 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,2,0,0,0,0|2,0,0]=4 5763 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,2,0,0,0,0|2,0,0]=4 5764 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,2,0,0,0,0|2,0,0]=4 5765 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,2,0,0,0,0|2,0,0]=4 5766 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,2,0,0,0,0|2,0,0]=4 5767 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,2,0,0,0,0|2,0,0]=4 5768 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,2,0,0,0,0|2,0,0]=4 5769 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,2,0,0,0,0|2,0,0]=4 5770 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,2,0,0,0,0|2,0,0]=4 5771 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,2,0,0,0,0|1,0,1]=4 5772 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,2,0,0,0,0|2,0,0]=4 5773 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,2,0,0,0,0|2,0,0]=4 5774 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,2,0,0,0,0|2,0,0]=4 5775 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,2,0,0,0,0|2,0,0]=4 5776 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,2,0,0,0,0|2,0,0]=4 5777 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,2,0,0,0,0|2,0,0]=4 5778 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,2,0,0,0,0|2,0,0]=4 5779 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,2,0,0,0,0|0,0,2]=4 5780 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,2,0,0,0,0|0,0,2]=4 5781 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,2,0,0,0,0|2,0,0]=4 5782 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,2,0,0,0,0|2,0,0]=4 5783 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,2,0,0,0,0|1,0,1]=4 5784 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,2,0,0,0,0|1,0,1]=4 5785 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,2,0,0,0,0|1,0,1]=4 5786 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,2,0,0,0,0|1,0,1]=4 5787 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,2,0,0,0,0|1,0,1]=4 5788 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,2,0,0,0,0|1,0,1]=4 5789 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,2,0,0,0,0|1,0,1]=4 5790 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,2,0,0,0,0|1,0,1]=4 5791 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,2,0,0,0,0|2,0,0]=4 5792 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,2,0,0,0,0|2,0,0]=4 5793 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [0,2,0,0,0,0|1,0,1]=4 5794 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,2,0,0,0,0|1,0,1]=4 5795 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,2,0,0,0,0|1,0,1]=4 5796 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,2,0,0,0,0|0,0,2]=4 5797 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,2,0,0,0,0|0,0,2]=4 5798 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,2,0,0,0,0|0,0,1]=3 5799 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,2,0,0,0,0|1,0,0]=3 5800 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,2,0,0,0,0|1,0,0]=3 5801 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,2,0,0,0,0|1,0,0]=3 5802 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,2,0,0,0,0|2,0,0]=4 5803 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,2,0,0,0,0|2,0,0]=4 5804 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,2,0,0,0,0|1,0,0]=3 5805 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,2,0,0,0,0|2,0,0]=4 5807 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,2,0,0,0,0|2,0,0]=4 5809 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,2,0,0,0,0|2,0,0]=4 5810 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,2,0,0,0,0|2,0,0]=4 5811 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,2,0,0,0,0|2,0,0]=4 5812 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,2,0,0,0,0|1,0,0]=3 5813 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,2,0,0,0,0|1,0,0]=3 5814 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,2,0,0,0,0|2,0,0]=4 5815 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,2,0,0,0,0|2,0,0]=4 5816 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,2,0,0,0,0|2,0,0]=4 5817 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,2,0,0,0,0|1,0,0]=3 5818 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,2,0,0,0,0|1,0,0]=3 5819 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,2,0,0,0,0|1,0,0]=3 5820 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,2,0,0,0,0|2,0,0]=4 5821 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,2,0,0,0,0|2,0,0]=4 5822 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,2,0,0,0,0|2,0,0]=4 5823 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,2,0,0,0,0|2,0,0]=4 5824 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,2,0,0,0,0|2,0,0]=4 5825 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,2,0,0,0,0|2,0,0]=4 5826 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,2,0,0,0,0|2,0,0]=4 5827 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,2,0,0,0,0|2,0,0]=4 5828 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,2,0,0,0,0|2,0,0]=4 5829 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,2,0,0,0,0|2,0,0]=4 5830 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,2,0,0,0,0|2,0,0]=4 5831 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,2,0,0,0,0|2,0,0]=4 5832 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,2,0,0,0,0|1,0,0]=3 5833 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,2,0,0,0,0|1,0,0]=3 5834 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,2,0,0,0,0|2,0,0]=4 5835 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,2,0,0,0,0|2,0,0]=4 5836 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 5837 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,2,0,0,0,0|1,0,0]=3 5838 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 5839 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,2,0,0,0,0|1,0,0]=3 5840 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 5841 B11R0.4 CCNC(=O)NCCOCCO 2708a_100015525214_100000211614 [0,2,0,0,0,0|2,0,0]=4 5842 B11R0.4 CCNC(=O)NCCOCCO 273464a_100000211614_100015525214 [0,2,0,0,0,0|2,0,0]=4 5843 B11R0.4 CCNC(=O)NCCOCCO 273464a_100015525214_100000211614 [0,2,0,0,0,0|2,0,0]=4 5844 B11R0.4 CCNC(=O)NCCOCCO 512a_100000211614_100015525214 [0,2,0,0,0,0|2,0,0]=4 5845 B11R0.4 CCNC(=O)NCCSCCO 2708a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 5846 B11R0.4 CCNC(=O)NCCSCCO 273464a_100011219999_100015525214 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.4 CCNC(=O)NCCSCCO 273464a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 5848 B11R0.4 CCNC(=O)NCCSCCO 512a_100011219999_100015525214 [0,2,0,0,0,0|2,0,0]=4 5849 B11R0.4 CCNC(=O)NCCSCCO 512a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 5850 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,2,0,0,0,0|2,0,0]=4 5851 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [0,2,0,0,0,0|1,0,1]=4 5852 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [0,2,0,0,0,0|1,0,1]=4 5853 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [0,2,0,0,0,0|1,0,1]=4 5854 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [0,2,0,0,0,0|1,0,1]=4 5855 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,2,0,0,0,0|2,0,0]=4 5856 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,2,0,0,0,0|2,0,0]=4 5857 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,2,0,0,0,0|2,0,0]=4 5858 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,2,0,0,0,0|1,0,0]=3 5859 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,2,0,0,0,0|1,0,0]=3 5860 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,2,0,0,0,0|1,0,0]=3 5861 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,2,0,0,0,0|1,1,0]=4 5862 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,2,0,0,0,0|1,1,0]=4 5863 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,2,0,0,0,0|1,1,0]=4 5864 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,2,0,0,0,0|1,1,0]=4 5865 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,2,0,0,0,0|2,0,0]=4 5866 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,2,0,0,0,0|2,0,0]=4 5867 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,2,0,0,0,0|2,0,0]=4 5868 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,2,0,0,0,0|2,0,0]=4 5869 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,2,0,0,0,0|2,0,0]=4 5870 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,2,0,0,0,0|1,0,0]=3 5871 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,2,0,0,0,0|1,0,0]=3 5872 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,2,0,0,0,0|2,0,0]=4 5873 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,2,0,0,0,0|2,0,0]=4 5874 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,2,0,0,0,0|2,0,0]=4 5875 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,2,0,0,0,0|1,0,0]=3 5876 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,2,0,0,0,0|2,0,0]=4 5877 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,2,0,0,0,0|2,0,0]=4 5878 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,2,0,0,0,0|1,0,0]=3 5879 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,2,0,0,0,0|1,0,0]=3 5880 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,2,0,0,0,0|2,0,0]=4 5881 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,2,0,0,0,0|2,0,0]=4 5882 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,2,0,0,0,0|2,0,0]=4 5883 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,2,0,0,0,0|2,0,0]=4 5884 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,2,0,0,0,0|2,0,0]=4 5885 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,2,0,0,0,0|2,0,0]=4 5886 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,2,0,0,0,0|2,0,0]=4 5887 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,2,0,0,0,0|2,0,0]=4 5888 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,2,0,0,0,0|2,0,0]=4 5889 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,2,0,0,0,0|2,0,0]=4 5890 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,2,0,0,0,0|2,0,0]=4 5891 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,2,0,0,0,0|2,0,0]=4 5892 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,2,0,0,0,0|2,0,0]=4 5893 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,2,0,0,0,0|1,0,0]=3 5894 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,2,0,0,0,0|1,0,0]=3 5895 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,2,0,0,0,0|2,0,0]=4 5896 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,2,0,0,0,0|2,0,0]=4 5897 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,2,0,0,0,0|1,0,0]=3 5898 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,2,0,0,0,0|1,0,0]=3 5899 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,2,0,0,0,0|2,0,0]=4 5900 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,2,0,0,0,0|2,0,0]=4 5901 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,2,0,0,0,0|2,0,0]=4 5902 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,2,0,0,0,0|2,0,0]=4 5903 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,2,0,0,0,0|2,0,0]=4 5904 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,2,0,0,0,0|2,0,0]=4 5905 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,2,0,0,0,0|2,0,0]=4 5906 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,2,0,0,0,0|2,0,0]=4 5907 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,2,0,0,0,0|2,0,0]=4 5908 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,2,0,0,0,0|2,0,0]=4 5909 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,2,0,0,0,0|2,0,0]=4 5910 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,2,0,0,0,0|2,0,0]=4 5911 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,2,0,0,0,0|1,0,0]=3 5912 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,2,0,0,0,0|1,0,0]=3 5913 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,2,0,0,0,0|2,0,0]=4 5914 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,2,0,0,0,0|2,0,0]=4 5915 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,2,0,0,0,0|2,0,0]=4 5916 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,2,0,0,0,0|2,0,0]=4 5917 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,2,0,0,0,0|2,0,0]=4 5918 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,2,0,0,0,0|2,0,0]=4 5919 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [0,2,0,0,0,0|1,0,1]=4 5920 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [0,2,0,0,0,0|1,0,1]=4 5921 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [0,2,0,0,0,0|1,0,1]=4 5922 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [0,2,0,0,0,0|1,0,1]=4 5923 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,2,0,0,0,0|1,0,1]=4 5924 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,2,0,0,0,0|1,0,1]=4 5925 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [0,2,0,0,0,0|1,0,1]=4 5926 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [0,2,0,0,0,0|1,0,1]=4 5927 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,2,0,0,0,0|1,0,1]=4 5928 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,2,0,0,0,0|1,0,1]=4 5929 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,2,0,0,0,0|1,0,1]=4 5930 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,2,0,0,0,0|1,0,1]=4 5931 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,2,0,0,0,0|2,0,0]=4 5932 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,2,0,0,0,0|2,0,0]=4 5933 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,2,0,0,0,0|2,0,0]=4 5934 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,2,0,0,0,0|2,0,0]=4 5935 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,2,0,0,0,0|1,0,1]=4 5936 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,2,0,0,0,0|0,0,1]=3 5937 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,2,0,0,0,0|1,0,0]=3 5938 B11R0.4 COCC(=O)NCCOCCO 240690a_100000211614_100000210968 [0,2,0,0,0,0|2,0,0]=4 5939 B11R0.4 COCC(=O)NCCSCCO 240690a_100011219999_100000210968 [0,2,0,0,0,0|2,0,0]=4 5940 B11R0.4 COCC(=O)NCCSCCO 527a_100011219999_100000210968 [0,2,0,0,0,0|2,0,0]=4 5941 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [0,2,0,0,0,0|1,0,1]=4 5942 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [0,2,0,0,0,0|1,0,1]=4 5943 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [0,2,0,0,0,0|1,0,1]=4 5944 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [0,2,0,0,0,0|1,0,1]=4 5945 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [0,2,0,0,0,0|1,0,1]=4 5946 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,2,0,0,0,0|1,0,1]=4 5947 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|1,0,1]=4 5948 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [0,2,0,0,0,0|1,0,1]=4 5949 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,2,0,0,0,0|1,0,1]=4 5950 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,2,0,0,0,0|1,0,1]=4 5951 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,2,0,0,0,0|0,0,1]=3 5952 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,2,0,0,0,0|1,0,0]=3 5953 B11R0.4 CSCC(=O)NCCOCCO 240690a_100000211614_100000184570 [0,2,0,0,0,0|2,0,0]=4 5954 B11R0.4 CSCC(=O)NCCSCCO 240690a_100011219999_100000184570 [0,2,0,0,0,0|2,0,0]=4 5955 B11R0.4 CSCC(=O)NCCSCCO 527a_100011219999_100000184570 [0,2,0,0,0,0|2,0,0]=4 5956 B11R0.4 CSCC(C)NCCCCCO 270004a_100000762737_100011216314 [0,2,0,0,0,0|1,0,1]=4 5957 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,2,0,0,0,0|1,0,1]=4 5958 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|1,0,1]=4 5959 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,2,0,0,0,0|0,0,2]=4 5960 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,2,0,0,0,0|0,0,2]=4 5961 B11R0.4 N#CCC(=O)NCCCCCO 240690a_100000762737_100051588842 [0,2,0,0,0,0|1,0,1]=4 5962 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,2,0,0,0,0|1,0,1]=4 5963 B11R0.4 O=C(C=CBr)NCCCCCO 240690a_100000762737_100016273825 [0,2,0,0,0,0|1,0,1]=4 5964 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,2,0,0,0,0|1,0,1]=4 5965 B11R0.4 O=C(C=CCl)NCCCCCO 240690a_100000762737_200016279998 [0,2,0,0,0,0|1,0,1]=4 5966 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,2,0,0,0,0|1,0,1]=4 5967 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,2,0,0,0,0|0,0,1]=3 5968 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,2,0,0,0,0|1,0,1]=4 5969 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|0,0,1]=3 5970 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|0,0,1]=3 5971 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,2,0,0,0,0|1,0,0]=3 5972 B11R0.4 O=C(CCO)NCCOCCO 240690a_100000211614_100011216618 [0,2,0,0,0,0|2,0,0]=4 5973 B11R0.4 O=C(CCO)NCCSCCO 240690a_100011219999_100011216618 [0,2,0,0,0,0|2,0,0]=4 5974 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 5975 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 5976 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,2,0,0,0,0|2,0,0]=4 5977 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 5978 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,2,0,0,0,0|0,0,2]=4 5979 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,2,0,0,0,0|1,0,1]=4 5980 B11R0.5 CCC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000212282 [0,2,0,0,0,0|1,0,1]=4 5981 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,2,0,0,0,0|1,0,1]=4 5982 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,2,0,0,0,0|1,0,1]=4 5983 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183381 [0,2,0,0,0,0|2,0,0]=4 5984 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000741943_100000230001 [0,2,0,0,0,0|2,0,0]=4 5985 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183381 [0,2,0,0,0,0|2,0,0]=4 5986 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000741943_100011215043 [0,2,0,0,0,0|2,0,0]=4 5987 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,2,0,0,0,0|1,0,1]=4 5988 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,2,0,0,0,0|2,0,0]=4 5989 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,2,0,0,0,0|2,0,0]=4 5990 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,2,0,0,0,0|2,0,0]=4 5991 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,2,0,0,0,0|2,0,0]=4 5992 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,2,0,0,0,0|2,0,0]=4 5993 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,2,0,0,0,0|2,0,0]=4 5994 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,2,0,0,0,0|2,0,0]=4 5995 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,2,0,0,0,0|1,0,1]=4 5996 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,2,0,0,0,0|1,0,1]=4 5997 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,2,0,0,0,0|1,0,1]=4 5998 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,2,0,0,0,0|1,0,1]=4 5999 B11R0.62 CCNC(=O)CCN(C)CCO 2230a_100000210263_100000737597 [0,2,0,0,0,0|2,0,0]=4 6000 B11R0.62 CCNC(=O)CCN(C)CCO 269982a_100000210263_100000737597 [0,2,0,0,0,0|2,0,0]=4 6001 B11R0.62 CCNC(=O)CNC(C)CCO 2230a_100016988866_100009893172 [0,2,0,0,0,0|2,0,0]=4 6002 B11R0.62 CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183381 [0,2,0,0,0,0|2,0,0]=4 6003 B11R0.62 CCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183381 [0,2,0,0,0,0|2,0,0]=4 6004 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100000183381_100009893172 [0,2,0,0,0,0|2,0,0]=4 6005 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100009893172_100000183381 [0,2,0,0,0,0|2,0,0]=4 6006 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,2,0,0,0,0|1,0,1]=4 6007 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,2,0,0,0,0|2,0,0]=4 6008 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,2,0,0,0,0|2,0,0]=4 6009 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,2,0,0,0,0|2,0,0]=4 6010 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,2,0,0,0,0|2,0,0]=4 6011 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,2,0,0,0,0|2,0,0]=4 6012 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,2,0,0,0,0|2,0,0]=4 6013 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,2,0,0,0,0|2,0,0]=4 6014 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,2,0,0,0,0|2,0,0]=4 6015 B11R0.81 C#CCCC(=O)CC/C=C\CC 1458a_100000692101_100015370543 [0,2,0,0,0,0|1,0,1]=4 6016 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,2,0,0,0,0|0,0,2]=4 6017 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,2,0,0,0,0|0,0,2]=4 6018 B11R0.81 C#CCCCCC(=O)C=CCC 1458a_100000212282_100010269958 [0,2,0,0,0,0|1,0,1]=4 6019 B11R0.81 C#CCNC(=O)CCCCCO 240690a_100000212058_100102619762 [0,2,0,0,0,0|1,0,1]=4 6020 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,2,0,0,0,0|1,0,1]=4 6021 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,2,0,0,0,0|0,0,1]=3 6022 B11R0.81 C/C=C/CC(=O)CCOCCO 1458a_100011229844_100102629194 [0,2,0,0,0,0|1,0,1]=4 6023 B11R0.81 C/C=C/CN(C)CCCCCO 269982a_100000722520_100102629194 [0,2,0,0,0,0|0,0,2]=4 6024 B11R0.81 C/C=C/CNC[C@H](C)CCCO 34a_100160569302_100102629194 [0,2,0,0,0,0|0,0,2]=4 6025 B11R0.81 C=C(CSCCCO)OCOC 62a_100000042856_100011215043 [0,2,0,0,0,0|2,0,0]=4 6026 B11R0.81 C=C(CSCCCO)OCOC 62a_100011215043_100000042856 [0,2,0,0,0,0|2,0,0]=4 6027 B11R0.81 C=CC=CC(=O)CCCCCO 1458a_100016291481_100000746330 [0,2,0,0,0,0|0,0,2]=4 6028 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [0,2,0,0,0,0|1,0,1]=4 6029 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,2,0,0,0,0|0,0,2]=4 6030 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,2,0,0,0,0|0,0,2]=4 6031 B11R0.81 C=CCCC(C)OC/C=C\CC 34a_100000765329_100103147603 [0,2,0,0,0,0|1,0,1]=4 6032 B11R0.81 C=CCCC(C)OC/C=C\CC 7a_100000765329_100103147603 [0,2,0,0,0,0|1,0,1]=4 6033 B11R0.81 C=CCCCCC(=O)C=CCC 1458a_100000212282_100011215482 [0,2,0,0,0,0|1,0,1]=4 6034 B11R0.81 C=CCCN(C)CC/C=C\CC 2230a_100020639649_100015370543 [0,2,0,0,0,0|1,0,1]=4 6035 B11R0.81 C=CCCN(C)CC/C=C\CC 269982a_100020639649_100015370543 [0,2,0,0,0,0|1,0,1]=4 6036 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [0,2,0,0,0,0|1,0,1]=4 6037 B11R0.81 CC#CCC(=O)CCCCCO 1458a_100102619762_100000748600 [0,2,0,0,0,0|0,0,2]=4 6038 B11R0.81 CC/C=C\CCC(=O)C#CCO 1458a_100000049017_100015370543 [0,2,0,0,0,0|0,0,2]=4 6039 B11R0.81 CC/C=C\CCC(=O)CCC#N 1458a_100011934036_100015370543 [0,2,0,0,0,0|1,0,1]=4 6040 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,2,0,0,0,0|1,0,0]=3 6041 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,2,0,0,0,0|0,0,1]=3 6042 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,2,0,0,0,0|0,1,1]=4 6043 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,2,0,0,0,0|1,0,1]=4 6044 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [0,2,0,0,0,0|1,0,1]=4 6045 B11R0.81 CC/C=C\CCN(C)CCC#N 2230a_100000184479_100015370543 [0,2,0,0,0,0|1,0,1]=4 6046 B11R0.81 CC/C=C\CCN(C)CCCC 2230a_100000207549_100015370543 [0,2,0,0,0,0|1,0,0]=3 6047 B11R0.81 CC/C=C\CCN(C)CCCC 269982a_100000207549_100015370543 [0,2,0,0,0,0|1,0,0]=3 6048 B11R0.81 CC/C=C\CCN(C)CCCO 2230a_100000213112_100015370543 [0,2,0,0,0,0|0,0,0]=2 6049 B11R0.81 CC/C=C\CCN(C)CCCO 269982a_100000213112_100015370543 [0,2,0,0,0,0|0,0,0]=2 6050 B11R0.81 CC/C=C\CCN(C)CCOC 2230a_100000743101_100015370543 [0,2,0,0,0,0|1,0,0]=3 6051 B11R0.81 CC/C=C\CCN(C)CCOC 269982a_100000743101_100015370543 [0,2,0,0,0,0|1,0,0]=3 6052 B11R0.81 CC/C=C\CCN(C)CCSC 2230a_100000686725_100015370543 [0,2,0,0,0,0|1,1,0]=4 6053 B11R0.81 CC/C=C\CCN(C)CCSC 269982a_100000686725_100015370543 [0,2,0,0,0,0|1,1,0]=4 6054 B11R0.81 CC/C=C\CNC(C)CCCC 2230a_100000126638_100103147603 [0,2,0,0,0,0|1,0,0]=3 6055 B11R0.81 CC/C=C\COC(C)CCCC 34a_100000687866_100103147603 [0,2,0,0,0,0|1,0,0]=3 6056 B11R0.81 CC/C=C\COC(C)CCCC 34a_100016268518_200011215066 [0,2,0,0,0,0|1,0,0]=3 6057 B11R0.81 CC/C=C\COC(C)CCCC 7a_100000687866_100103147603 [0,2,0,0,0,0|1,0,0]=3 6058 B11R0.81 CC/C=C\COC(C)CCCCl 34a_200000718107_100103147603 [0,2,0,0,0,0|1,0,0]=3 6059 B11R0.81 CC/C=C\COC(C)CCCCl 7a_200000718107_100103147603 [0,2,0,0,0,0|1,0,0]=3 6060 B11R0.81 CC/C=C\COC(C)COCC 34a_100000718985_100103147603 [0,2,0,0,0,0|2,0,0]=4 6061 B11R0.81 CC/C=C\COC(C)COCC 7a_100000718985_100103147603 [0,2,0,0,0,0|2,0,0]=4 6062 B11R0.81 CC/C=C\CSC(C)CCCC 62a_100103147603_200011215066 [0,2,0,0,0,0|1,0,0]=3 6063 B11R0.81 CC/C=C\CSC(C)CCCC 62a_200011215066_100103147603 [0,2,0,0,0,0|1,0,0]=3 6064 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,2,0,0,0,0|1,0,1]=4 6065 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,2,0,0,0,0|1,0,1]=4 6066 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,2,0,0,0,0|1,0,1]=4 6067 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,2,0,0,0,0|0,0,1]=3 6068 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,2,0,0,0,0|0,0,1]=3 6069 B11R0.81 CC=CCC(=O)CCOCCO 1458a_100011229844_100000070051 [0,2,0,0,0,0|1,0,1]=4 6070 B11R0.81 CC=CCC(=O)CCOCCO 1458a_100121576822_100011215305 [0,2,0,0,0,0|1,0,1]=4 6071 B11R0.81 CC=CCC(=O)NCCCCO 240690a_100000750430_100121576822 [0,2,0,0,0,0|1,0,1]=4 6072 B11R0.81 CC=CCC(=O)NCCCCO 527a_100000750430_100121576822 [0,2,0,0,0,0|1,0,1]=4 6073 B11R0.81 CC=CCN(C)CCCCCO 2230a_100000722520_100000070051 [0,2,0,0,0,0|0,0,2]=4 6074 B11R0.81 CC=CCNC[C@H](C)CCCO 2230a_100160569302_100000070051 [0,2,0,0,0,0|0,0,2]=4 6075 B11R0.81 CC=CCNC[C@H](C)CCCO 34a_100160569302_100000070051 [0,2,0,0,0,0|0,0,2]=4 6076 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [0,2,0,0,0,0|1,0,1]=4 6077 B11R0.81 CCC#CC(=O)CCCCCF 1458a_100011827653_100000729378 [0,2,0,0,0,0|1,0,1]=4 6078 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [0,2,0,0,0,0|0,0,1]=3 6079 B11R0.81 CCC#CC(=O)CCOCCO 1458a_100011827653_100011215305 [0,2,0,0,0,0|1,0,1]=4 6080 B11R0.81 CCC#CC(C)OCCCCO 34a_100000033903_100011216708 [0,2,0,0,0,0|0,0,2]=4 6081 B11R0.81 CCC#CC(C)OCCCCO 7a_100000033903_100000210776 [0,2,0,0,0,0|0,0,2]=4 6082 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,2,0,0,0,0|1,0,1]=4 6083 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [0,2,0,0,0,0|1,0,1]=4 6084 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,2,0,0,0,0|0,0,1]=3 6085 B11R0.81 CCC/C=C/CC(=O)NCCO 240690a_100000210304_200016266809 [0,2,0,0,0,0|1,0,1]=4 6086 B11R0.81 CCC/C=C/CC(=O)NCCO 527a_100000210304_200016266809 [0,2,0,0,0,0|1,0,1]=4 6087 B11R0.81 CCC=CC(=O)CCCCC#N 1458a_100000212282_100000211819 [0,2,0,0,0,0|1,0,1]=4 6088 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,2,0,0,0,0|1,0,0]=3 6089 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,2,0,0,0,0|1,0,0]=3 6090 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,2,0,0,0,0|0,0,0]=2 6091 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,2,0,0,0,0|0,0,1]=3 6092 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [0,2,0,0,0,0|1,0,1]=4 6093 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [0,2,0,0,0,0|1,0,1]=4 6094 B11R0.81 CCC=CC(=O)CCOCCO 1458a_100000212282_100011215305 [0,2,0,0,0,0|0,0,1]=3 6095 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,2,0,0,0,0|1,0,1]=4 6096 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,2,0,0,0,0|1,0,1]=4 6097 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,2,0,0,0,0|1,0,1]=4 6098 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,2,0,0,0,0|1,0,1]=4 6099 B11R0.81 CCC=CC(=O)NCCCCO 240690a_100000750430_100000212282 [0,2,0,0,0,0|0,0,1]=3 6100 B11R0.81 CCC=CC(=O)NCCCOC 1626a_100150723488_100000212282 [0,2,0,0,0,0|1,0,1]=4 6101 B11R0.81 CCC=CC(=O)NCCCOC 240690a_100150723488_100000212282 [0,2,0,0,0,0|1,0,1]=4 6102 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,2,0,0,0,0|1,0,1]=4 6103 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,2,0,0,0,0|0,0,1]=3 6104 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,2,0,0,0,0|0,0,1]=3 6105 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,2,0,0,0,0|1,0,1]=4 6106 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,2,0,0,0,0|1,0,1]=4 6107 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,2,0,0,0,0|1,0,1]=4 6108 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,2,0,0,0,0|1,0,1]=4 6109 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [0,2,0,0,0,0|0,0,2]=4 6110 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [0,2,0,0,0,0|0,0,2]=4 6111 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [0,2,0,0,0,0|0,0,2]=4 6112 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [0,2,0,0,0,0|0,0,2]=4 6113 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [0,2,0,0,0,0|0,0,2]=4 6114 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [0,2,0,0,0,0|0,0,2]=4 6115 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [0,2,0,0,0,0|0,0,2]=4 6116 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [0,2,0,0,0,0|0,0,2]=4 6117 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [0,2,0,0,0,0|0,0,2]=4 6118 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [0,2,0,0,0,0|0,0,2]=4 6119 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [0,2,0,0,0,0|0,0,2]=4 6120 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [0,2,0,0,0,0|0,0,2]=4 6121 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [0,2,0,0,0,0|0,0,2]=4 6122 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [0,2,0,0,0,0|0,0,2]=4 6123 B11R0.81 CCCCCCC(=NNCC)C 4a_100000756455_100000210826 [0,2,0,0,0,0|2,0,0]=4 6124 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,2,0,0,0,0|1,0,1]=4 6125 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,2,0,0,0,0|1,0,1]=4 6126 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,2,0,0,0,0|1,0,1]=4 6127 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,2,0,0,0,0|1,0,1]=4 6128 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,2,0,0,0,0|0,0,2]=4 6129 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,2,0,0,0,0|1,0,1]=4 6130 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,2,0,0,0,0|1,0,1]=4 6131 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,2,0,0,0,0|1,0,1]=4 6132 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,2,0,0,0,0|1,0,1]=4 6133 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|1,0,1]=4 6134 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,2,0,0,0,0|1,0,1]=4 6135 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 6136 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 6137 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 6138 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 6139 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,2,0,0,0,0|2,0,0]=4 6140 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,2,0,0,0,0|2,0,0]=4 6141 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,2,0,0,0,0|2,0,0]=4 6142 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,2,0,0,0,0|2,0,0]=4 6143 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,2,0,0,0,0|2,0,0]=4 6144 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,2,0,0,0,0|2,0,0]=4 6145 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [0,2,0,0,0,0|2,0,0]=4 6146 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,2,0,0,0,0|0,0,2]=4 6147 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,2,0,0,0,0|0,0,2]=4 6148 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,2,0,0,0,0|0,0,2]=4 6149 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,2,0,0,0,0|0,0,2]=4 6150 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,2,0,0,0,0|0,0,2]=4 6151 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,2,0,0,0,0|0,0,2]=4 6152 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,2,0,0,0,0|0,0,2]=4 6153 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,2,0,0,0,0|0,0,2]=4 6154 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,2,0,0,0,0|0,0,2]=4 6155 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|0,0,2]=4 6156 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|0,0,2]=4 6157 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,2,0,0,0,0|0,0,2]=4 6158 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,2,0,0,0,0|0,0,2]=4 6159 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,2,0,0,0,0|0,0,2]=4 6160 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,2,0,0,0,0|0,0,2]=4 6161 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,2,0,0,0,0|0,0,2]=4 6162 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,2,0,0,0,0|0,0,2]=4 6163 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [0,2,0,0,0,0|0,0,2]=4 6164 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [0,2,0,0,0,0|0,0,2]=4 6165 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [0,2,0,0,0,0|0,0,2]=4 6166 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [0,2,0,0,0,0|0,0,2]=4 6167 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [0,2,0,0,0,0|0,0,2]=4 6168 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [0,2,0,0,0,0|0,0,2]=4 6169 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|0,0,2]=4 6170 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,2,0,0,0,0|0,0,1]=3 6171 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,2,0,0,0,0|1,0,1]=4 6172 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,2,0,0,0,0|1,0,1]=4 6173 B11R0.81 CCCNC(=O)CNCCCO 2230a_100000174927_100000230001 [0,2,0,0,0,0|1,0,1]=4 6174 B11R0.81 CCCNC(=O)CSCCCO 62a_100000183358_100011215043 [0,2,0,0,0,0|1,0,1]=4 6175 B11R0.81 CCCNC(=O)CSCCCO 62a_100011215043_100000183358 [0,2,0,0,0,0|1,0,1]=4 6176 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,2,0,0,0,0|1,0,1]=4 6177 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,2,0,0,0,0|1,0,1]=4 6178 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,2,0,0,0,0|1,0,1]=4 6179 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,2,0,0,0,0|1,0,1]=4 6180 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,2,0,0,0,0|1,0,1]=4 6181 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,2,0,0,0,0|1,0,1]=4 6182 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,2,0,0,0,0|1,0,1]=4 6183 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,2,0,0,0,0|1,0,1]=4 6184 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [0,2,0,0,0,0|1,0,1]=4 6185 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [0,2,0,0,0,0|1,0,1]=4 6186 B11R0.81 CCCOCCN(C)CCCO 2230a_100000213112_100011215938 [0,2,0,0,0,0|1,0,1]=4 6187 B11R0.81 CCCOCCN(C)CCCO 269982a_100000213112_100011215938 [0,2,0,0,0,0|1,0,1]=4 6188 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [0,2,0,0,0,0|1,0,0]=3 6189 B11R0.81 CCNNC(=O)CCOCCO 22a_100000756455_100011229844 [0,2,0,0,0,0|2,0,0]=4 6190 B11R0.81 CCNNC(=O)NCCCCO 273464a_100000750430_100000756455 [0,2,0,0,0,0|2,0,0]=4 6191 B11R0.81 CCNNC(=O)NCCCCO 512a_100000750430_100000756455 [0,2,0,0,0,0|2,0,0]=4 6192 B11R0.81 CCNNC(=O)NCCCCO 512a_100000756455_100000750430 [0,2,0,0,0,0|2,0,0]=4 6193 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,2,0,0,0,0|1,0,1]=4 6194 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,2,0,0,0,0|0,0,1]=3 6195 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,2,0,0,0,0|1,0,1]=4 6196 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,2,0,0,0,0|1,0,1]=4 6197 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,2,0,0,0,0|1,0,1]=4 6198 B11R0.81 CCOCC(C)OCCCCO 34a_100000718985_100011216708 [0,2,0,0,0,0|1,0,1]=4 6199 B11R0.81 CCOCC(C)OCCCCO 7a_100000718985_100000210776 [0,2,0,0,0,0|1,0,1]=4 6200 B11R0.81 CCOCC(O)CNCCCO 2230a_102515437182_100000230001 [0,2,0,0,0,0|1,0,1]=4 6201 B11R0.81 CCOCC(O)CNCCCO 34a_102515437182_100000230001 [0,2,0,0,0,0|1,0,1]=4 6202 B11R0.81 CCOCCCN(C)CCCO 2230a_100000213112_100012232248 [0,2,0,0,0,0|1,0,1]=4 6203 B11R0.81 CCOCCCN(C)CCCO 269982a_100000213112_100012232248 [0,2,0,0,0,0|1,0,1]=4 6204 B11R0.81 CCOCN(C)CCCCCO 269982a_100000722520_100000739092 [0,2,0,0,0,0|1,0,1]=4 6205 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,2,0,0,0,0|1,0,1]=4 6206 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,2,0,0,0,0|0,0,1]=3 6207 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,2,0,0,0,0|1,0,1]=4 6208 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,2,0,0,0,0|1,0,1]=4 6209 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,2,0,0,0,0|1,0,1]=4 6210 B11R0.81 CCSCC(C)NCCCCO 270004a_100000750430_200011216171 [0,2,0,0,0,0|1,0,1]=4 6211 B11R0.81 CN(CCCF)CCCCCO 2230a_100000722520_100011934791 [0,2,0,0,0,0|1,0,1]=4 6212 B11R0.81 CN(CCCF)CCCCCO 269982a_100000722520_100011934791 [0,2,0,0,0,0|1,0,1]=4 6213 B11R0.81 CN(CCCO)CCCCCO 2230a_100000213112_100000746330 [0,2,0,0,0,0|1,0,1]=4 6214 B11R0.81 CN(CCCO)CCCCCO 2230a_100000722520_100000230001 [0,2,0,0,0,0|1,0,1]=4 6215 B11R0.81 CN(CCCO)CCCCCO 269982a_100000213112_100000746330 [0,2,0,0,0,0|1,0,1]=4 6216 B11R0.81 CN(CCCO)CCCCCO 269982a_100000722520_100011215043 [0,2,0,0,0,0|1,0,1]=4 6217 B11R0.81 COC=CC(=O)CCCCCF 1458a_100016268678_100000729378 [0,2,0,0,0,0|1,0,1]=4 6218 B11R0.81 COC=CC(=O)CCCCCO 1458a_100016268678_100000746330 [0,2,0,0,0,0|0,0,1]=3 6219 B11R0.81 COC=CC(=O)CCCCOC 1458a_100016268678_100000755781 [0,2,0,0,0,0|1,0,1]=4 6220 B11R0.81 COC=CC(=O)CCOCCO 1458a_100016268678_100011215305 [0,2,0,0,0,0|1,0,1]=4 6221 B11R0.81 COC=CC(=O)NCCCCO 240690a_100000750430_100016268678 [0,2,0,0,0,0|1,0,1]=4 6222 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,2,0,0,0,0|1,0,1]=4 6223 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,2,0,0,0,0|0,0,1]=3 6224 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,2,0,0,0,0|0,0,1]=3 6225 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,2,0,0,0,0|1,0,1]=4 6226 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,2,0,0,0,0|1,0,1]=4 6227 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,2,0,0,0,0|1,0,1]=4 6228 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,2,0,0,0,0|1,0,1]=4 6229 B11R0.81 COCCN(C)CCCCCO 2230a_100000722520_100011201679 [0,2,0,0,0,0|1,0,1]=4 6230 B11R0.81 COCCN(C)CCCCCO 2230a_100000743101_100000746330 [0,2,0,0,0,0|1,0,1]=4 6231 B11R0.81 COCCN(C)CCCCCO 269982a_100000722520_100000233755 [0,2,0,0,0,0|1,0,1]=4 6232 B11R0.81 COCCN(C)CCCCCO 269982a_100000743101_100000746330 [0,2,0,0,0,0|1,0,1]=4 6233 B11R0.81 COCCNC[C@H](C)CCCO 2230a_100160569302_100011201679 [0,2,0,0,0,0|1,0,1]=4 6234 B11R0.81 COCCNC[C@H](C)CCCO 34a_100160569302_100011201679 [0,2,0,0,0,0|1,0,1]=4 6235 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,2,0,0,0,0|1,0,1]=4 6236 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,2,0,0,0,0|0,0,1]=3 6237 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,2,0,0,0,0|0,0,1]=3 6238 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,2,0,0,0,0|1,0,1]=4 6239 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,2,0,0,0,0|1,0,1]=4 6240 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,2,0,0,0,0|1,0,1]=4 6241 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,2,0,0,0,0|1,0,1]=4 6242 B11R0.81 CSCCN(C)CCCCCO 2230a_100000686725_100000746330 [0,2,0,0,0,0|1,0,1]=4 6243 B11R0.81 CSCCN(C)CCCCCO 2230a_100000722520_100000751147 [0,2,0,0,0,0|1,0,1]=4 6244 B11R0.81 CSCCN(C)CCCCCO 269982a_100000686725_100000746330 [0,2,0,0,0,0|1,0,1]=4 6245 B11R0.81 CSCCN(C)CCCCCO 269982a_100000722520_100000212216 [0,2,0,0,0,0|1,0,1]=4 6246 B11R0.81 CSCCNC[C@H](C)CCCO 2230a_100160569302_100000751147 [0,2,0,0,0,0|1,0,1]=4 6247 B11R0.81 CSCCNC[C@H](C)CCCO 34a_100160569302_100000212216 [0,2,0,0,0,0|1,0,1]=4 6248 B11R0.81 C[C@H](CCCO)CNCCCF 2230a_100160569302_100011934791 [0,2,0,0,0,0|1,0,1]=4 6249 B11R0.81 C[C@H](CCCO)CNCCCF 34a_100160569302_100011934791 [0,2,0,0,0,0|1,0,1]=4 6250 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [0,2,0,0,0,0|1,0,1]=4 6251 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|1,0,1]=4 6252 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,2,0,0,0,0|0,0,2]=4 6253 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,2,0,0,0,0|0,0,2]=4 6254 B11R0.81 O=C(C#CCO)CCCCCO 1458a_100000049017_100000746330 [0,2,0,0,0,0|0,0,2]=4 6255 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,2,0,0,0,0|1,0,0]=3 6256 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,2,0,0,0,0|1,0,0]=3 6257 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,2,0,0,0,0|0,0,1]=3 6258 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,2,0,0,0,0|1,0,1]=4 6259 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,2,0,0,0,0|0,0,1]=3 6260 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,2,0,0,0,0|1,0,1]=4 6261 B11R0.81 O=C(CCOCCO)NCCF 1626a_100000724931_100011229844 [0,2,0,0,0,0|2,0,0]=4 6262 B11R0.81 O=C(CCOCCO)NCCF 240690a_100000724931_100011229844 [0,2,0,0,0,0|2,0,0]=4 6263 B11R0.81 O=C(CCOCCO)NCCO 240690a_100000210304_100011229844 [0,2,0,0,0,0|2,0,0]=4 6264 B11R0.81 O=C(CNCCCO)NCCF 2230a_100000725713_100000230001 [0,2,0,0,0,0|2,0,0]=4 6265 B11R0.81 O=C(NCCF)NCCCCO 2708a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 6266 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000724931_100000750430 [0,2,0,0,0,0|2,0,0]=4 6267 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 6268 B11R0.81 O=C(NCCF)NCCCCO 512a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 6269 B11R0.81 O=C(NCCO)NCCCCO 2708a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 6270 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000210304_100000750430 [0,2,0,0,0,0|2,0,0]=4 6271 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.81 O=C(NCCO)NCCCCO 512a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 6273 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [0,2,0,0,0,0|1,0,1]=4 6274 B11R0.142 C/C=C(\C)/C(=O)CCCCCF 1458a_100020587367_100000729378 [0,2,0,0,0,0|1,0,1]=4 6275 B11R0.142 C/C=C(\C)/C(=O)CCCCCO 1458a_100020587367_100000746330 [0,2,0,0,0,0|0,0,1]=3 6276 B11R0.142 C/C=C(\C)/C(=O)CCOCCO 1458a_100020587367_100011215305 [0,2,0,0,0,0|1,0,1]=4 6277 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100009813391_100011215043 [0,2,0,0,0,0|2,0,0]=4 6278 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100011215043_100009813391 [0,2,0,0,0,0|2,0,0]=4 6279 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [0,2,0,0,0,0|1,0,1]=4 6280 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,2,0,0,0,0|1,0,1]=4 6281 B11R0.142 CC/C=C\CCC(=O)C(O)CO 1458a_100011215603_100015370543 [0,2,0,0,0,0|0,0,1]=3 6282 B11R0.142 CC/C=C\CCN(C)C(C)CC 2230a_100000741768_100015370543 [0,2,0,0,0,0|2,0,0]=4 6283 B11R0.142 CC/C=C\CCN(C)C(C)CC 269982a_100000741768_100015370543 [0,2,0,0,0,0|2,0,0]=4 6284 B11R0.142 CC/C=C\CCN(C)C(C)CO 2230a_100000693034_100015370543 [0,2,0,0,0,0|1,0,0]=3 6285 B11R0.142 CC/C=C\CCN(C)C(C)CO 269982a_100000693034_100015370543 [0,2,0,0,0,0|1,0,0]=3 6286 B11R0.142 CC/C=C\COC(C)C(C)CC 7a_100011215189_100103147603 [0,2,0,0,0,0|2,0,0]=4 6287 B11R0.142 CCC(=O)C(C)NCCCCO 2230a_100000750430_100000742827 [0,2,0,0,0,0|1,0,1]=4 6288 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000210776_100000742827 [0,2,0,0,0,0|1,0,1]=4 6289 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000742827_100000210776 [0,2,0,0,0,0|1,0,1]=4 6290 B11R0.142 CCC(=O)N(C)CCCCCO 240690a_100000722520_100000210414 [0,2,0,0,0,0|1,0,0]=3 6291 B11R0.142 CCC(=O)N(C)CCOCCO 240690a_100000228057_100000210414 [0,2,0,0,0,0|2,0,0]=4 6292 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,2,0,0,0,0|1,0,1]=4 6293 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,2,0,0,0,0|0,0,1]=3 6294 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,2,0,0,0,0|0,0,1]=3 6295 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011192722_100011215305 [0,2,0,0,0,0|1,0,1]=4 6296 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011229844_100000758301 [0,2,0,0,0,0|1,0,1]=4 6297 B11R0.142 CCC(C)C(=O)NCCCCO 240690a_100000750430_100011192722 [0,2,0,0,0,0|1,0,1]=4 6298 B11R0.142 CCC(C)C(=O)NCCCCO 527a_100000750430_100011192722 [0,2,0,0,0,0|1,0,1]=4 6299 B11R0.142 CCC(C)N(C)CCCCCO 2230a_100000722520_100000758301 [0,2,0,0,0,0|1,0,1]=4 6300 B11R0.142 CCC(C)N(C)CCCCCO 2230a_100000741768_100000746330 [0,2,0,0,0,0|1,0,1]=4 6301 B11R0.142 CCC(C)N(C)CCCCCO 269982a_100000722520_100000758301 [0,2,0,0,0,0|1,0,1]=4 6302 B11R0.142 CCC(C)N(C)CCCCCO 269982a_100000741768_100000746330 [0,2,0,0,0,0|1,0,1]=4 6303 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,2,0,0,0,0|1,0,1]=4 6304 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,2,0,0,0,0|0,0,1]=3 6305 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,2,0,0,0,0|1,0,1]=4 6306 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,2,0,0,0,0|1,0,1]=4 6307 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,2,0,0,0,0|2,0,0]=4 6308 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|1,0,1]=4 6309 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|1,0,1]=4 6310 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|1,0,1]=4 6311 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [0,2,0,0,0,0|2,0,0]=4 6312 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [0,2,0,0,0,0|2,0,0]=4 6313 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [0,2,0,0,0,0|2,0,0]=4 6314 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [0,2,0,0,0,0|2,0,0]=4 6315 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|1,0,1]=4 6316 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|1,0,1]=4 6317 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 6318 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 6319 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 6320 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 6321 B11R0.142 CCN(C)C(=O)CCCCCO 240690a_100000225621_100102619762 [0,2,0,0,0,0|1,0,0]=3 6322 B11R0.142 CCN(C)C(=O)CCOCCO 1626a_100000225621_100011229844 [0,2,0,0,0,0|2,0,0]=4 6323 B11R0.142 CCN(C)C(=O)CCOCCO 240690a_100000225621_100011229844 [0,2,0,0,0,0|2,0,0]=4 6324 B11R0.142 CCN(C)C(=O)CSCCCO 62a_100000738999_100011215043 [0,2,0,0,0,0|2,0,0]=4 6325 B11R0.142 CCN(C)C(=O)CSCCCO 62a_100011215043_100000738999 [0,2,0,0,0,0|2,0,0]=4 6326 B11R0.142 CCN(C)C(=O)NCCCCO 2708a_100000750430_100000225621 [0,2,0,0,0,0|2,0,0]=4 6327 B11R0.142 CCN(C)C(=O)NCCCCO 273464a_100000750430_100000225621 [0,2,0,0,0,0|2,0,0]=4 6328 B11R0.142 CN(CCCCCO)C(=O)CO 240690a_100000722520_100000210174 [0,2,0,0,0,0|2,0,0]=4 6329 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [0,2,0,0,0,0|2,0,0]=4 6330 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,2,0,0,0,0|1,0,0]=3 6331 B11R0.142 CNC(=O)C(=O)CCOCCO 1458a_100011218921_100011215305 [0,2,0,0,0,0|2,0,0]=4 6332 B11R0.142 CNC(=O)C(=O)NCCCCO 240690a_100000750430_100011218921 [0,2,0,0,0,0|2,0,0]=4 6333 B11R0.142 CNC(=O)C(=O)NCCCCO 527a_100000750430_100011218921 [0,2,0,0,0,0|2,0,0]=4 6334 B11R0.142 CNC(=O)N(C)CCCCCO 2708a_100102657272_100000722520 [0,2,0,0,0,0|2,0,0]=4 6335 B11R0.142 CNC(=O)N(C)CCCCCO 273464a_100102657272_100000722520 [0,2,0,0,0,0|2,0,0]=4 6336 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011215043_100011610305 [0,2,0,0,0,0|2,0,0]=4 6337 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011610305_100011215043 [0,2,0,0,0,0|2,0,0]=4 6338 B11R0.142 COC(=O)C(=O)NCCCCO 240690a_100000750430_100000024059 [0,2,0,0,0,0|2,0,0]=4 6339 B11R0.142 COC(=O)C(=O)NCCCCO 527a_100000750430_100000024059 [0,2,0,0,0,0|2,0,0]=4 6340 B11R0.142 COC(C)C(=O)CCCCCO 1458a_100000743197_100000746330 [0,2,0,0,0,0|1,0,1]=4 6341 B11R0.142 CSC(C)C(=O)CCCCCO 1458a_100000149566_100000746330 [0,2,0,0,0,0|1,0,1]=4 6342 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|1,0,1]=4 6343 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,2,0,0,0,0|1,0,1]=4 6344 B11R0.155 CC/C=C(\C)/C(=O)CCCCF 1458a_100016988807_100000729493 [0,2,0,0,0,0|1,0,1]=4 6345 B11R0.155 CC/C=C(\C)/C(=O)CCCCO 1458a_100016988807_100000210776 [0,2,0,0,0,0|0,0,1]=3 6346 B11R0.155 CC/C=C(\C)/C(=O)NCCCO 240690a_100000182051_100016988807 [0,2,0,0,0,0|1,0,1]=4 6347 B11R0.155 CC/C=C(\C)/C(=O)NCCCO 527a_100000182051_100016988807 [0,2,0,0,0,0|1,0,1]=4 6348 B11R0.155 CC/C=C/CC(=O)C(C)CCC 1458a_100016274230_100000766640 [0,2,0,0,0,0|1,0,1]=4 6349 B11R0.155 CC/C=C/CC(=O)C(C)CCO 1458a_100016274230_100009893172 [0,2,0,0,0,0|0,0,1]=3 6350 B11R0.155 CC/C=C/CC(=O)N(C)CCO 240690a_100000210263_100016274230 [0,2,0,0,0,0|1,0,1]=4 6351 B11R0.155 CC/C=C/CC(=O)N(C)CCO 527a_100000210263_100016274230 [0,2,0,0,0,0|1,0,1]=4 6352 B11R0.155 CC/C=C\CC(=O)C(C)CCC 1458a_100000210906_100103147603 [0,2,0,0,0,0|1,0,1]=4 6353 B11R0.155 CC/C=C\CC(=O)[C@@H](O)CCC 1458a_100009822183_100103147603 [0,2,0,0,0,0|1,0,1]=4 6354 B11R0.155 CC/C=C\CN(C)C(C)CCO 2230a_100000731037_100103147603 [0,2,0,0,0,0|1,0,0]=3 6355 B11R0.155 CC/C=C\CN(C)C(C)CCO 269982a_100000731037_100103147603 [0,2,0,0,0,0|1,0,0]=3 6356 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [0,2,0,0,0,0|1,0,1]=4 6357 B11R0.155 CC=CC(=O)N(C)CCCCO 240690a_100000717598_100000210699 [0,2,0,0,0,0|1,0,1]=4 6358 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,2,0,0,0,0|1,0,1]=4 6359 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|1,0,1]=4 6360 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|1,0,1]=4 6361 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,2,0,0,0,0|2,0,0]=4 6362 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,2,0,0,0,0|2,0,0]=4 6363 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,2,0,0,0,0|2,0,0]=4 6364 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [0,2,0,0,0,0|1,0,1]=4 6365 B11R0.155 CCNC(=O)C(C)NCCCO 2230a_100000736553_100000230001 [0,2,0,0,0,0|2,0,0]=4 6366 B11R0.155 CCNC(=O)C(C)NCCCO 34a_100000736553_100000230001 [0,2,0,0,0,0|2,0,0]=4 6367 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100000230173_100011215043 [0,2,0,0,0,0|2,0,0]=4 6368 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100011215043_100000230173 [0,2,0,0,0,0|2,0,0]=4 6369 B11R0.155 CCNC(=O)N(C)CCCCO 2708a_100015525214_100000717598 [0,2,0,0,0,0|2,0,0]=4 6370 B11R0.155 CCNC(=O)N(C)CCCCO 273464a_100015525214_100000717598 [0,2,0,0,0,0|2,0,0]=4 6371 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,2,0,0,0,0|2,0,0]=4 6372 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,2,0,0,0,0|2,0,0]=4 6373 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,2,0,0,0,0|2,0,0]=4 6374 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,2,0,0,0,0|2,0,0]=4 6375 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,2,0,0,0,0|2,0,0]=4 6376 B11R0.155 CCSC(=O)[C@H](C)NCCCO 2230a_100103168634_100000230001 [0,2,0,0,0,0|2,0,0]=4 6377 B11R0.161 C#CC(CCC)OC/C=C\CC 34a_200011217317_100103147603 [0,2,0,0,0,0|2,0,0]=4 6378 B11R0.161 C#CC(CCC)OC/C=C\CC 7a_200011217317_100103147603 [0,2,0,0,0,0|2,0,0]=4 6379 B11R0.161 C=CC(CCC)OC/C=C\CC 34a_100011216692_100103147603 [0,2,0,0,0,0|2,0,0]=4 6380 B11R0.161 C=CC(CCC)OC/C=C\CC 7a_100011216692_100103147603 [0,2,0,0,0,0|2,0,0]=4 6381 B11R0.161 CC/C=C\CCN(CC)CCC 2230a_100000226822_100015370543 [0,2,0,0,0,0|2,0,0]=4 6382 B11R0.161 CC/C=C\CCN(CC)CCC 269982a_100000226822_100015370543 [0,2,0,0,0,0|2,0,0]=4 6383 B11R0.161 CC/C=C\CCN(CC)CCO 2230a_100000210973_100015370543 [0,2,0,0,0,0|1,0,0]=3 6384 B11R0.161 CC/C=C\CCN(CC)CCO 269982a_100000210973_100015370543 [0,2,0,0,0,0|1,0,0]=3 6385 B11R0.161 CC/C=C\CNC(CC)CCC 2230a_100000747048_100103147603 [0,2,0,0,0,0|2,0,0]=4 6386 B11R0.161 CC/C=C\CN[C@H](CO)CCC 2230a_100000732646_100103147603 [0,2,0,0,0,0|2,0,0]=4 6387 B11R0.161 CC/C=C\CN[C@H](CO)CCC 34a_100000732646_100103147603 [0,2,0,0,0,0|2,0,0]=4 6388 B11R0.161 CC/C=C\COC(C#N)CCC 34a_100000686963_100103147603 [0,2,0,0,0,0|2,0,0]=4 6389 B11R0.161 CC/C=C\COC(C#N)CCC 7a_100000686963_100103147603 [0,2,0,0,0,0|2,0,0]=4 6390 B11R0.161 CC/C=C\COC(CC)CCC 34a_100000687864_100103147603 [0,2,0,0,0,0|2,0,0]=4 6391 B11R0.161 CC/C=C\COC(CC)CCC 7a_100000687864_100103147603 [0,2,0,0,0,0|2,0,0]=4 6392 B11R0.161 CC/C=C\CSC(CC)CCC 62a_100011219200_100103147603 [0,2,0,0,0,0|2,0,0]=4 6393 B11R0.161 CC/C=C\CSC(CC)CCC 62a_100103147603_100011219200 [0,2,0,0,0,0|2,0,0]=4 6394 B11R0.161 CCCN(CC)CCCCCO 2230a_100000226822_100000746330 [0,2,0,0,0,0|1,0,1]=4 6395 B11R0.161 CCCN(CC)CCCCCO 269982a_100000226822_100000746330 [0,2,0,0,0,0|1,0,1]=4 6396 B11R0.174 CC=CC(=O)NCCC(C)CO 240690a_106354213184_100000210699 [0,2,0,0,0,0|1,0,1]=4 6397 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,2,0,0,0,0|1,0,1]=4 6398 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,2,0,0,0,0|1,0,1]=4 6399 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,2,0,0,0,0|1,0,1]=4 6400 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,2,0,0,0,0|1,0,1]=4 6401 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,2,0,0,0,0|1,0,1]=4 6402 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,2,0,0,0,0|1,0,1]=4 6403 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,2,0,0,0,0|1,0,1]=4 6404 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,2,0,0,0,0|1,0,1]=4 6405 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,2,0,0,0,0|1,0,1]=4 6406 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [0,2,0,0,0,0|2,0,0]=4 6407 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [0,2,0,0,0,0|2,0,0]=4 6408 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [0,2,0,0,0,0|2,0,0]=4 6409 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [0,2,0,0,0,0|2,0,0]=4 6410 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [0,2,0,0,0,0|2,0,0]=4 6411 B11R0.174 CCNC(=O)CNCC(C)CO 34a_100000744482_100000183381 [0,2,0,0,0,0|2,0,0]=4 6412 B11R0.174 CCNC(=O)CNCC(O)CO 2230a_100016988866_100011219619 [0,2,0,0,0,0|2,0,0]=4 6413 B11R0.174 CCNC(=O)CNC[C@@H](C)CO 2230a_100016988866_100000059175 [0,2,0,0,0,0|2,0,0]=4 6414 B11R0.174 CCNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183381 [0,2,0,0,0,0|2,0,0]=4 6415 B11R0.174 CCNC(=O)CNC[C@@H](O)CO 2230a_100016988866_100009815848 [0,2,0,0,0,0|2,0,0]=4 6416 B11R0.174 CCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183381 [0,2,0,0,0,0|2,0,0]=4 6417 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100000183381_100011219619 [0,2,0,0,0,0|2,0,0]=4 6418 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100011219619_100000183381 [0,2,0,0,0,0|2,0,0]=4 6419 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183381 [0,2,0,0,0,0|2,0,0]=4 6420 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000183381_100000059175 [0,2,0,0,0,0|2,0,0]=4 6421 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100000183381_100009815848 [0,2,0,0,0,0|2,0,0]=4 6422 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183381 [0,2,0,0,0,0|2,0,0]=4 6423 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 6424 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 6425 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,2,0,0,0,0|2,0,0]=4 6426 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 6427 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,2,0,0,0,0|2,0,0]=4 6428 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,2,0,0,0,0|1,0,1]=4 6429 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,2,0,0,0,0|2,0,0]=4 6430 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,2,0,0,0,0|2,0,0]=4 6431 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,2,0,0,0,0|2,0,0]=4 6432 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,2,0,0,0,0|2,0,0]=4 6433 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,2,0,0,0,0|2,0,0]=4 6434 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,2,0,0,0,0|2,0,0]=4 6435 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,2,0,0,0,0|2,0,0]=4 6436 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,2,0,0,0,0|2,0,0]=4 6437 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,2,0,0,0,0|2,0,0]=4 6438 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,2,0,0,0,0|2,0,0]=4 6439 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,2,0,0,0,0|2,0,0]=4 6440 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,2,0,0,0,0|2,0,0]=4 6441 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,2,0,0,0,0|2,0,0]=4 6442 B11R0.176 CC=CC(=O)CCCCB(O)O 1458a_100000210699_200009817182 [0,2,0,0,0,0|1,0,1]=4 6443 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [0,2,0,0,0,0|1,0,1]=4 6444 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,2,0,0,0,0|1,0,1]=4 6445 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,2,0,0,0,0|1,0,1]=4 6446 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,2,0,0,0,0|1,0,1]=4 6447 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,2,0,0,0,0|1,0,1]=4 6448 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,2,0,0,0,0|1,0,1]=4 6449 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,2,0,0,0,0|1,0,1]=4 6450 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,2,0,0,0,0|2,0,0]=4 6451 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,2,0,0,0,0|2,0,0]=4 6452 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,2,0,0,0,0|2,0,0]=4 6453 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,2,0,0,0,0|2,0,0]=4 6454 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,2,0,0,0,0|2,0,0]=4 6455 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,2,0,0,0,0|2,0,0]=4 6456 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,2,0,0,0,0|2,0,0]=4 6457 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,2,0,0,0,0|2,0,0]=4 6458 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,2,0,0,0,0|2,0,0]=4 6459 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,2,0,0,0,0|2,0,0]=4 6460 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,2,0,0,0,0|2,0,0]=4 6461 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,2,0,0,0,0|2,0,0]=4 6462 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,2,0,0,0,0|2,0,0]=4 6463 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,2,0,0,0,0|2,0,0]=4 6464 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,2,0,0,0,0|2,0,0]=4 6465 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,2,0,0,0,0|2,0,0]=4 6466 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,2,0,0,0,0|2,0,0]=4 6467 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,2,0,0,0,0|2,0,0]=4 6468 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,2,0,0,0,0|2,0,0]=4 6469 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,2,0,0,0,0|2,0,0]=4 6470 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,2,0,0,0,0|2,0,0]=4 6471 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,2,0,0,0,0|2,0,0]=4 6472 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,2,0,0,0,0|2,0,0]=4 6473 B11R0.304 CC/C=C\COC(C)(C)CCBr 7a_100000702414_100103147603 [0,2,0,0,0,0|2,0,0]=4 6474 B11R0.304 CC/C=C\COC(C)(C)CCC 7a_100000748436_100103147603 [0,2,0,0,0,0|2,0,0]=4 6475 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,2,0,0,0,0|0,0,2]=4 6476 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,2,0,0,0,0|0,0,2]=4 6477 B11R0.40 C#C/C(=C\COCCCCO)/C 34a_100016990848_100011216708 [0,2,0,0,0,0|0,0,2]=4 6478 B11R0.40 C#CC(C)NCCCCCCO 2230a_100000707721_100000766143 [0,2,0,0,0,0|1,0,1]=4 6479 B11R0.40 C#CC(C)NCCCCCCO 34a_100000686447_200000035995 [0,2,0,0,0,0|1,0,1]=4 6480 B11R0.40 C#CC(C)NCCCCCCO 34a_100000707721_100000766143 [0,2,0,0,0,0|1,0,1]=4 6481 B11R0.40 C#CC(C)OCCC/C=C/CC 34a_100016287902_200000035995 [0,2,0,0,0,0|1,0,1]=4 6482 B11R0.40 C#CC(C)SCCCCCCO 62a_200000035995_100000766143 [0,2,0,0,0,0|1,0,1]=4 6483 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,2,0,0,0,0|1,0,1]=4 6484 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,2,0,0,0,0|1,0,1]=4 6485 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,2,0,0,0,0|1,0,1]=4 6486 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,2,0,0,0,0|1,0,1]=4 6487 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,2,0,0,0,0|1,0,1]=4 6488 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,2,0,0,0,0|1,0,1]=4 6489 B11R0.40 C#C[C@@H](C)OCCCCCCO 34a_100009815206_100000766143 [0,2,0,0,0,0|1,0,1]=4 6490 B11R0.40 C#C[C@@H](C)OCCCCCCO 7a_100009815206_100000766143 [0,2,0,0,0,0|1,0,1]=4 6491 B11R0.40 C/C=C/C=C/COCC(O)CO 34a_100016283227_100011219619 [0,2,0,0,0,0|0,0,2]=4 6492 B11R0.40 C/C=C/C=C/COC[C@@H](C)CO 34a_100016283227_100000059175 [0,2,0,0,0,0|0,0,2]=4 6493 B11R0.40 C/C=C/C=C/COC[C@@H](O)CO 34a_100016283227_100009815848 [0,2,0,0,0,0|0,0,2]=4 6494 B11R0.40 C=CC(C)COCC/C=C\CC 34a_100011215527_100015370543 [0,2,0,0,0,0|1,0,1]=4 6495 B11R0.40 C=CC(C)COCC/C=C\CC 7a_100011215527_100015370543 [0,2,0,0,0,0|1,0,1]=4 6496 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,2,0,0,0,0|1,0,1]=4 6497 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,2,0,0,0,0|1,0,1]=4 6498 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [0,2,0,0,0,0|1,0,1]=4 6499 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [0,2,0,0,0,0|1,0,1]=4 6500 B11R0.40 C=CC(O)COCC/C=C\CC 34a_100016288707_100000730141 [0,2,0,0,0,0|1,0,0]=3 6501 B11R0.40 C=CC(O)COCC/C=C\CC 7a_100016288707_100000730141 [0,2,0,0,0,0|1,0,0]=3 6502 B11R0.40 C=CC(O)CSCC/C=C\CC 62a_100000730141_100015370543 [0,2,0,0,0,0|1,0,0]=3 6503 B11R0.40 C=CC(O)CSCC/C=C\CC 62a_100015370543_100000730141 [0,2,0,0,0,0|1,0,0]=3 6504 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,2,0,0,0,0|1,0,1]=4 6505 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,2,0,0,0,0|1,0,1]=4 6506 B11R0.40 C=C[C@H](N)COCC/C=C\CC 34a_100016989147_100015370543 [0,2,0,0,0,0|1,0,1]=4 6507 B11R0.40 CC(C#N)NCCCCCCO 2230a_100000686447_100000184139 [0,2,0,0,0,0|1,0,1]=4 6508 B11R0.40 CC(C#N)NCCCCCCO 2230a_100000737613_100000766143 [0,2,0,0,0,0|1,0,1]=4 6509 B11R0.40 CC(C#N)OCCCCCCO 34a_100011218135_100000766143 [0,2,0,0,0,0|1,0,1]=4 6510 B11R0.40 CC(C#N)SCCCCCCO 62a_100000703298_100000766143 [0,2,0,0,0,0|1,0,1]=4 6511 B11R0.40 CC(C#N)SCCCCCCO 62a_100000766143_100000703298 [0,2,0,0,0,0|1,0,1]=4 6512 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [0,2,0,0,0,0|1,0,1]=4 6513 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [0,2,0,0,0,0|1,0,1]=4 6514 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|1,0,1]=4 6515 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|1,0,1]=4 6516 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|1,0,1]=4 6517 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [0,2,0,0,0,0|1,0,1]=4 6518 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,1]=4 6519 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [0,2,0,0,0,0|1,0,1]=4 6520 B11R0.40 CC/C=C/CCCOC(C)C#N 7a_100016287902_100000703298 [0,2,0,0,0,0|1,0,1]=4 6521 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [0,2,0,0,0,0|1,0,0]=3 6522 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [0,2,0,0,0,0|1,0,0]=3 6523 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [0,2,0,0,0,0|0,0,0]=2 6524 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [0,2,0,0,0,0|0,0,0]=2 6525 B11R0.40 CC/C=C\CCNCC(C)CC 2230a_100020588543_100015370543 [0,2,0,0,0,0|1,0,0]=3 6526 B11R0.40 CC/C=C\CCNCC(C)CO 34a_100000744482_100015370543 [0,2,0,0,0,0|0,0,0]=2 6527 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [0,2,0,0,0,0|1,0,0]=3 6528 B11R0.40 CC/C=C\CCNC[C@@H](C)OC 2230a_100020591295_100015370543 [0,2,0,0,0,0|1,0,0]=3 6529 B11R0.40 CC/C=C\CCNC[C@@H](F)CO 34a_100015665980_100015370543 [0,2,0,0,0,0|0,0,0]=2 6530 B11R0.40 CC/C=C\CCNC[C@H](O)CO 2230a_100020644852_100015370543 [0,2,0,0,0,0|0,0,0]=2 6531 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,2,0,0,0,0|1,0,1]=4 6532 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,2,0,0,0,0|1,0,1]=4 6533 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,2,0,0,0,0|1,0,1]=4 6534 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,2,0,0,0,0|1,0,1]=4 6535 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [0,2,0,0,0,0|1,0,0]=3 6536 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [0,2,0,0,0,0|1,0,0]=3 6537 B11R0.40 CC/C=C\CCOCC(C)CN 34a_100000744482_100015370543 [0,2,0,0,0,0|1,0,0]=3 6538 B11R0.40 CC/C=C\CCOCC(C)OC 34a_100000690652_100015370543 [0,2,0,0,0,0|1,0,0]=3 6539 B11R0.40 CC/C=C\CCOCC(Cl)CCl 34a_100000033668_100015370543 [0,2,0,0,0,0|1,0,0]=3 6540 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [0,2,0,0,0,0|1,0,0]=3 6541 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [0,2,0,0,0,0|1,0,0]=3 6542 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,2,0,0,0,0|0,0,0]=2 6543 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,2,0,0,0,0|0,0,0]=2 6544 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [0,2,0,0,0,0|1,0,0]=3 6545 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [0,2,0,0,0,0|1,0,0]=3 6546 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [0,2,0,0,0,0|1,0,0]=3 6547 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,2,0,0,0,0|0,0,0]=2 6548 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,2,0,0,0,0|0,0,0]=2 6549 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [0,2,0,0,0,0|1,0,0]=3 6550 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [0,2,0,0,0,0|1,0,0]=3 6551 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,2,0,0,0,0|0,0,0]=2 6552 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,2,0,0,0,0|0,0,0]=2 6553 B11R0.40 CC/C=C\CCOC[C@H](F)CN 34a_100015665980_100015370543 [0,2,0,0,0,0|1,0,0]=3 6554 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [0,2,0,0,0,0|1,0,1]=4 6555 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [0,2,0,0,0,0|1,0,1]=4 6556 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,2,0,0,0,0|1,0,1]=4 6557 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,2,0,0,0,0|1,0,1]=4 6558 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100000748023_100015370543 [0,2,0,0,0,0|1,0,0]=3 6559 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100015370543_100000748023 [0,2,0,0,0,0|1,0,0]=3 6560 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [0,2,0,0,0,0|1,0,0]=3 6561 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [0,2,0,0,0,0|1,0,0]=3 6562 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100011219619_100015370543 [0,2,0,0,0,0|0,0,0]=2 6563 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100015370543_100011219619 [0,2,0,0,0,0|0,0,0]=2 6564 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100009816398_100015370543 [0,2,0,0,0,0|1,0,0]=3 6565 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100015370543_100009816398 [0,2,0,0,0,0|1,0,0]=3 6566 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100000059175_100015370543 [0,2,0,0,0,0|0,0,0]=2 6567 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100015370543_100000059175 [0,2,0,0,0,0|0,0,0]=2 6568 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015370543_100015614560 [0,2,0,0,0,0|1,0,0]=3 6569 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015614560_100015370543 [0,2,0,0,0,0|1,0,0]=3 6570 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100009815848_100015370543 [0,2,0,0,0,0|0,0,0]=2 6571 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100015370543_100009815848 [0,2,0,0,0,0|0,0,0]=2 6572 B11R0.40 CC/C=C\CNCCC(C)CC 2230a_100020591266_100103147603 [0,2,0,0,0,0|1,0,0]=3 6573 B11R0.40 CC/C=C\CNCCC(C)CO 2230a_106354213184_100103147603 [0,2,0,0,0,0|0,0,0]=2 6574 B11R0.40 CC/C=C\CNCCC(C)CO 34a_106354213184_100103147603 [0,2,0,0,0,0|0,0,0]=2 6575 B11R0.40 CC/C=C\COCCC(=NO)N 34a_100000749954_100103147603 [0,2,0,0,0,0|1,0,1]=4 6576 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,2,0,0,0,0|1,0,1]=4 6577 B11R0.40 CC/C=C\COCCC(C)CC 7a_100011215188_100103147603 [0,2,0,0,0,0|1,0,0]=3 6578 B11R0.40 CC/C=C\COCCC(C)OC 7a_100000764861_100103147603 [0,2,0,0,0,0|1,0,0]=3 6579 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,2,0,0,0,0|1,0,1]=4 6580 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,2,0,0,0,0|1,0,1]=4 6581 B11R0.40 CC=C=CCCOCC(O)CO 34a_100011020354_100011219619 [0,2,0,0,0,0|0,0,2]=4 6582 B11R0.40 CC=C=CCCOC[C@@H](C)CO 34a_100011020354_100000059175 [0,2,0,0,0,0|0,0,2]=4 6583 B11R0.40 CC=C=CCCOC[C@@H](O)CO 34a_100011020354_100009815848 [0,2,0,0,0,0|0,0,2]=4 6584 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [0,2,0,0,0,0|0,0,2]=4 6585 B11R0.40 CC=CCCCOC[C@@H](C)CO 34a_100020645299_100000059175 [0,2,0,0,0,0|0,0,2]=4 6586 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [0,2,0,0,0,0|0,0,2]=4 6587 B11R0.40 CCC#CCCOCC(O)CO 34a_100000036655_100011219619 [0,2,0,0,0,0|0,0,2]=4 6588 B11R0.40 CCC#CCCOCC(O)CO 7a_100000036655_100011219619 [0,2,0,0,0,0|0,0,2]=4 6589 B11R0.40 CCC#CCCOC[C@@H](C)CO 34a_100000036655_100000059175 [0,2,0,0,0,0|0,0,2]=4 6590 B11R0.40 CCC#CCCOC[C@@H](C)CO 7a_100000036655_100000059175 [0,2,0,0,0,0|0,0,2]=4 6591 B11R0.40 CCC#CCCOC[C@@H](O)CO 34a_100000036655_100009815848 [0,2,0,0,0,0|0,0,2]=4 6592 B11R0.40 CCC#CCCOC[C@@H](O)CO 7a_100000036655_100009815848 [0,2,0,0,0,0|0,0,2]=4 6593 B11R0.40 CCC#CCNCCC(C)CO 2230a_106354213184_100009813939 [0,2,0,0,0,0|0,0,2]=4 6594 B11R0.40 CCC#CCNCCC(C)CO 34a_106354213184_100009813939 [0,2,0,0,0,0|0,0,2]=4 6595 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,2,0,0,0,0|1,0,1]=4 6596 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|0,0,1]=3 6597 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|0,0,1]=3 6598 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|0,0,1]=3 6599 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,2,0,0,0,0|1,0,1]=4 6600 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,2,0,0,0,0|1,0,1]=4 6601 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,2,0,0,0,0|1,0,1]=4 6602 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,2,0,0,0,0|1,0,1]=4 6603 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,2,0,0,0,0|1,0,1]=4 6604 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,2,0,0,0,0|0,0,1]=3 6605 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,2,0,0,0,0|1,0,1]=4 6606 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,2,0,0,0,0|1,0,1]=4 6607 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,2,0,0,0,0|1,0,1]=4 6608 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,2,0,0,0,0|1,0,1]=4 6609 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,2,0,0,0,0|1,0,1]=4 6610 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,2,0,0,0,0|0,0,1]=3 6611 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,2,0,0,0,0|0,0,1]=3 6612 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,2,0,0,0,0|1,0,1]=4 6613 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,2,0,0,0,0|1,0,1]=4 6614 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,2,0,0,0,0|1,0,1]=4 6615 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,2,0,0,0,0|1,0,1]=4 6616 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,2,0,0,0,0|2,0,0]=4 6617 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,2,0,0,0,0|2,0,0]=4 6618 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,2,0,0,0,0|2,0,0]=4 6619 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,2,0,0,0,0|2,0,0]=4 6620 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,2,0,0,0,0|0,0,1]=3 6621 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,2,0,0,0,0|0,0,1]=3 6622 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,2,0,0,0,0|1,0,0]=3 6623 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,2,0,0,0,0|1,0,0]=3 6624 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,2,0,0,0,0|1,0,0]=3 6625 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,2,0,0,0,0|1,0,0]=3 6626 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,2,0,0,0,0|2,0,0]=4 6627 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,2,0,0,0,0|1,0,0]=3 6628 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,2,0,0,0,0|2,0,0]=4 6629 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,2,0,0,0,0|2,0,0]=4 6630 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,2,0,0,0,0|2,0,0]=4 6631 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,2,0,0,0,0|1,0,0]=3 6632 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,2,0,0,0,0|1,0,0]=3 6633 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,2,0,0,0,0|2,0,0]=4 6634 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,2,0,0,0,0|2,0,0]=4 6635 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,2,0,0,0,0|2,0,0]=4 6636 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,2,0,0,0,0|2,0,0]=4 6637 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,2,0,0,0,0|2,0,0]=4 6638 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,2,0,0,0,0|2,0,0]=4 6639 B11R0.40 CCC(=O)NN=CCCCCO 4a_100000183195_100000031955 [0,2,0,0,0,0|1,0,1]=4 6640 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,2,0,0,0,0|2,0,0]=4 6641 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,2,0,0,0,0|1,0,0]=3 6642 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,2,0,0,0,0|2,0,0]=4 6643 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|0,0,2]=4 6644 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,2,0,0,0,0|0,0,2]=4 6645 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,2,0,0,0,0|0,0,2]=4 6646 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,2,0,0,0,0|0,0,2]=4 6647 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,2,0,0,0,0|0,0,2]=4 6648 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,2,0,0,0,0|0,0,2]=4 6649 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,2,0,0,0,0|0,0,2]=4 6650 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,2,0,0,0,0|0,0,2]=4 6651 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,2,0,0,0,0|0,0,2]=4 6652 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,2,0,0,0,0|0,0,2]=4 6653 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,2,0,0,0,0|0,0,2]=4 6654 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,2,0,0,0,0|0,0,2]=4 6655 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,2,0,0,0,0|1,0,1]=4 6656 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,2,0,0,0,0|1,0,1]=4 6657 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|0,0,2]=4 6658 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,2,0,0,0,0|0,0,2]=4 6659 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,2,0,0,0,0|0,0,2]=4 6660 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 6661 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|0,0,2]=4 6662 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 6663 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|0,0,2]=4 6664 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|0,0,2]=4 6665 B11R0.40 CCC/C=C/COCC(C)CC 34a_100016278788_100000748023 [0,2,0,0,0,0|2,0,0]=4 6666 B11R0.40 CCC/C=C/COCC(C)CC 7a_100016278788_100000748023 [0,2,0,0,0,0|2,0,0]=4 6667 B11R0.40 CCC/C=C/COCC(O)CC 34a_100016278788_100011218378 [0,2,0,0,0,0|2,0,0]=4 6668 B11R0.40 CCC/C=C/COCC(O)CC 7a_100016278788_100011218378 [0,2,0,0,0,0|2,0,0]=4 6669 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,2,0,0,0,0|1,0,0]=3 6670 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,2,0,0,0,0|1,0,0]=3 6671 B11R0.40 CCC/C=C/COC[C@@H](C)CC 34a_100016278788_100009816398 [0,2,0,0,0,0|2,0,0]=4 6672 B11R0.40 CCC/C=C/COC[C@@H](C)CC 7a_100016278788_100009816398 [0,2,0,0,0,0|2,0,0]=4 6673 B11R0.40 CCC/C=C/COC[C@@H](C)CO 34a_100016278788_100000059175 [0,2,0,0,0,0|1,0,0]=3 6674 B11R0.40 CCC/C=C/COC[C@@H](C)CO 7a_100016278788_100000059175 [0,2,0,0,0,0|1,0,0]=3 6675 B11R0.40 CCC/C=C/COC[C@@H](O)CF 34a_100016278788_100015614560 [0,2,0,0,0,0|2,0,0]=4 6676 B11R0.40 CCC/C=C/COC[C@@H](O)CF 7a_100016278788_100015614560 [0,2,0,0,0,0|2,0,0]=4 6677 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,2,0,0,0,0|1,0,0]=3 6678 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,2,0,0,0,0|1,0,0]=3 6679 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,2,0,0,0,0|1,0,1]=4 6680 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,2,0,0,0,0|1,0,0]=3 6681 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,2,0,0,0,0|1,0,1]=4 6682 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,2,0,0,0,0|1,0,1]=4 6683 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,2,0,0,0,0|1,0,1]=4 6684 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,2,0,0,0,0|1,0,1]=4 6685 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|1,0,1]=4 6686 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|1,0,1]=4 6687 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,2]=4 6688 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,2,0,0,0,0|0,0,2]=4 6689 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,2,0,0,0,0|0,0,2]=4 6690 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,2,0,0,0,0|0,0,2]=4 6691 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,2,0,0,0,0|0,0,2]=4 6692 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 6693 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 6694 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 6695 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 6696 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|0,0,2]=4 6697 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|0,0,2]=4 6698 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|0,0,2]=4 6699 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|0,0,2]=4 6700 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,2,0,0,0,0|0,0,2]=4 6701 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,2,0,0,0,0|0,0,2]=4 6702 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,2,0,0,0,0|0,0,2]=4 6703 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,2,0,0,0,0|0,0,2]=4 6704 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,2,0,0,0,0|0,0,2]=4 6705 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,2,0,0,0,0|0,0,2]=4 6706 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,2,0,0,0,0|0,0,2]=4 6707 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,2,0,0,0,0|0,0,2]=4 6708 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,2,0,0,0,0|0,0,2]=4 6709 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|1,0,1]=4 6710 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|1,0,1]=4 6711 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|0,0,2]=4 6712 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|0,0,2]=4 6713 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|0,0,2]=4 6714 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|0,0,2]=4 6715 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|0,0,2]=4 6716 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|0,0,2]=4 6717 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|1,0,1]=4 6718 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|1,0,1]=4 6719 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,2,0,0,0,0|0,0,2]=4 6720 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,2,0,0,0,0|0,0,2]=4 6721 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,2,0,0,0,0|0,0,2]=4 6722 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,2,0,0,0,0|0,0,2]=4 6723 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,2,0,0,0,0|0,0,2]=4 6724 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,2,0,0,0,0|0,0,2]=4 6725 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,2,0,0,0,0|0,0,2]=4 6726 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,2,0,0,0,0|0,0,2]=4 6727 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,2,0,0,0,0|2,0,0]=4 6728 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,2,0,0,0,0|2,0,0]=4 6729 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,2,0,0,0,0|2,0,0]=4 6730 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,2,0,0,0,0|2,0,0]=4 6731 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 6732 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 6733 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 6734 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 6735 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 6736 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 6737 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 6738 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [0,2,0,0,0,0|1,0,1]=4 6739 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [0,2,0,0,0,0|1,0,1]=4 6740 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,2,0,0,0,0|1,0,1]=4 6741 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,2,0,0,0,0|1,0,1]=4 6742 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,2,0,0,0,0|1,0,1]=4 6743 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,2,0,0,0,0|1,0,1]=4 6744 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,2,0,0,0,0|1,0,1]=4 6745 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,2,0,0,0,0|1,0,1]=4 6746 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,2,0,0,0,0|1,0,1]=4 6747 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,2,0,0,0,0|1,0,1]=4 6748 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,2,0,0,0,0|1,0,1]=4 6749 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,2,0,0,0,0|1,0,1]=4 6750 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,2,0,0,0,0|1,0,1]=4 6751 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,2,0,0,0,0|1,0,1]=4 6752 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,2,0,0,0,0|1,0,1]=4 6753 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,2,0,0,0,0|1,0,1]=4 6754 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,2,0,0,0,0|1,0,1]=4 6755 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,2,0,0,0,0|1,0,1]=4 6756 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,2,0,0,0,0|1,0,1]=4 6757 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,2,0,0,0,0|1,0,1]=4 6758 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,2,0,0,0,0|1,0,1]=4 6759 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,2,0,0,0,0|1,0,1]=4 6760 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,2,0,0,0,0|1,0,1]=4 6761 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,2,0,0,0,0|1,0,1]=4 6762 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [0,2,0,0,0,0|1,0,1]=4 6763 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,2,0,0,0,0|1,0,1]=4 6764 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,2,0,0,0,0|1,0,1]=4 6765 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,2,0,0,0,0|1,0,1]=4 6766 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,2,0,0,0,0|1,0,1]=4 6767 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,2,0,0,0,0|1,0,1]=4 6768 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,2,0,0,0,0|1,0,1]=4 6769 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,2,0,0,0,0|1,0,1]=4 6770 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,2,0,0,0,0|0,0,2]=4 6771 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,2,0,0,0,0|0,0,2]=4 6772 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,2,0,0,0,0|1,0,1]=4 6773 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,2,0,0,0,0|1,0,1]=4 6774 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [0,2,0,0,0,0|1,0,1]=4 6775 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [0,2,0,0,0,0|1,0,1]=4 6776 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,2,0,0,0,0|1,0,1]=4 6777 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,2,0,0,0,0|1,0,1]=4 6778 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [0,2,0,0,0,0|1,0,1]=4 6779 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [0,2,0,0,0,0|1,0,1]=4 6780 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [0,2,0,0,0,0|1,0,1]=4 6781 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,2,0,0,0,0|1,0,1]=4 6782 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,2,0,0,0,0|1,0,1]=4 6783 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,2,0,0,0,0|1,0,1]=4 6784 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,2,0,0,0,0|1,0,1]=4 6785 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,2,0,0,0,0|1,0,1]=4 6786 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [0,2,0,0,0,0|1,0,1]=4 6787 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [0,2,0,0,0,0|1,0,1]=4 6788 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,2,0,0,0,0|1,0,1]=4 6789 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,2,0,0,0,0|1,0,1]=4 6790 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,2,0,0,0,0|1,0,1]=4 6791 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,2,0,0,0,0|1,0,1]=4 6792 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [0,2,0,0,0,0|1,0,1]=4 6793 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [0,2,0,0,0,0|1,0,1]=4 6794 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,2,0,0,0,0|1,0,1]=4 6795 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,2,0,0,0,0|1,0,1]=4 6796 B11R0.40 CCOCCNCCC(C)CO 2230a_106354213184_100011215890 [0,2,0,0,0,0|1,0,1]=4 6797 B11R0.40 CCOCCNCCC(C)CO 34a_106354213184_100000210147 [0,2,0,0,0,0|1,0,1]=4 6798 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,2,0,0,0,0|1,0,1]=4 6799 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,2,0,0,0,0|1,0,1]=4 6800 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [0,2,0,0,0,0|1,0,1]=4 6801 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [0,2,0,0,0,0|1,0,1]=4 6802 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,2,0,0,0,0|1,0,1]=4 6803 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,2,0,0,0,0|1,0,1]=4 6804 B11R0.40 CCSCCNCCC(C)CO 2230a_106354213184_100000757381 [0,2,0,0,0,0|1,0,1]=4 6805 B11R0.40 CCSCCNCCC(C)CO 34a_106354213184_100000757381 [0,2,0,0,0,0|1,0,1]=4 6806 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,2,0,0,0,0|0,0,2]=4 6807 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,2,0,0,0,0|0,0,2]=4 6808 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|0,0,2]=4 6809 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,2,0,0,0,0|0,0,2]=4 6810 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,2,0,0,0,0|0,0,2]=4 6811 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,2,0,0,0,0|1,0,1]=4 6812 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,2,0,0,0,0|1,0,1]=4 6813 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,2,0,0,0,0|1,0,1]=4 6814 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,2,0,0,0,0|1,0,1]=4 6815 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,2,0,0,0,0|1,0,1]=4 6816 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,2,0,0,0,0|1,0,1]=4 6817 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,2,0,0,0,0|1,0,1]=4 6818 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,2,0,0,0,0|1,0,1]=4 6819 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,2,0,0,0,0|1,0,1]=4 6820 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,2,0,0,0,0|1,0,1]=4 6821 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,2,0,0,0,0|1,0,1]=4 6822 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,2,0,0,0,0|1,0,1]=4 6823 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,2,0,0,0,0|1,0,1]=4 6824 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,2,0,0,0,0|1,0,1]=4 6825 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,2,0,0,0,0|1,0,1]=4 6826 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,2,0,0,0,0|1,0,1]=4 6827 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,2,0,0,0,0|1,0,1]=4 6828 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,2,0,0,0,0|1,0,1]=4 6829 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,2,0,0,0,0|1,0,1]=4 6830 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,2,0,0,0,0|1,0,1]=4 6831 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,2,0,0,0,0|1,0,1]=4 6832 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,2,0,0,0,0|1,0,1]=4 6833 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,2,0,0,0,0|1,0,1]=4 6834 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,2,0,0,0,0|2,0,0]=4 6835 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,2,0,0,0,0|2,0,0]=4 6836 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,2,0,0,0,0|2,0,0]=4 6837 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,2,0,0,0,0|2,0,0]=4 6838 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,2,0,0,0,0|2,0,0]=4 6839 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,2,0,0,0,0|2,0,0]=4 6840 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,2,0,0,0,0|2,0,0]=4 6841 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,2,0,0,0,0|2,0,0]=4 6842 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,2,0,0,0,0|2,0,0]=4 6843 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [0,2,0,0,0,0|1,0,1]=4 6844 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [0,2,0,0,0,0|1,0,1]=4 6845 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|1,0,1]=4 6846 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|1,0,1]=4 6847 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,2,0,0,0,0|1,0,1]=4 6848 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,2,0,0,0,0|1,0,1]=4 6849 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,2,0,0,0,0|1,0,1]=4 6850 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,2,0,0,0,0|1,0,1]=4 6851 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,2,0,0,0,0|1,0,1]=4 6852 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,2,0,0,0,0|1,0,1]=4 6853 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,2,0,0,0,0|1,0,1]=4 6854 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,2,0,0,0,0|1,0,1]=4 6855 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,2,0,0,0,0|1,0,1]=4 6856 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,1]=4 6857 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,2,0,0,0,0|1,0,1]=4 6858 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,2,0,0,0,0|1,0,1]=4 6859 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 6860 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 6861 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 6862 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,2,0,0,0,0|1,0,1]=4 6863 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,2,0,0,0,0|2,0,0]=4 6864 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,2,0,0,0,0|2,0,0]=4 6865 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,2,0,0,0,0|2,0,0]=4 6866 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,2,0,0,0,0|1,0,1]=4 6867 B11R0.40 COC(C)SCCCCCCO 62a_100000766143_100009879195 [0,2,0,0,0,0|1,0,1]=4 6868 B11R0.40 COC(C)SCCCCCCO 62a_100009879195_100000766143 [0,2,0,0,0,0|1,0,1]=4 6869 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|1,0,1]=4 6870 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|1,0,1]=4 6871 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|1,0,1]=4 6872 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|1,0,1]=4 6873 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|2,0,0]=4 6874 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|2,0,0]=4 6875 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,2,0,0,0,0|1,0,1]=4 6876 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,2,0,0,0,0|1,0,1]=4 6877 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,1]=4 6878 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,2,0,0,0,0|1,0,1]=4 6879 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,2,0,0,0,0|1,0,1]=4 6880 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [0,2,0,0,0,0|1,0,1]=4 6881 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [0,2,0,0,0,0|1,0,1]=4 6882 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [0,2,0,0,0,0|1,0,1]=4 6883 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [0,2,0,0,0,0|1,0,1]=4 6884 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,2,0,0,0,0|1,0,1]=4 6885 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|1,0,1]=4 6886 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|1,0,1]=4 6887 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|1,0,1]=4 6888 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,2,0,0,0,0|1,0,1]=4 6889 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|1,0,1]=4 6890 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,2,0,0,0,0|1,0,1]=4 6891 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,2,0,0,0,0|1,0,1]=4 6892 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|1,0,1]=4 6893 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,2,0,0,0,0|1,0,1]=4 6894 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|1,0,1]=4 6895 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,2,0,0,0,0|1,0,1]=4 6896 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [0,2,0,0,0,0|1,0,1]=4 6897 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,2,0,0,0,0|1,0,1]=4 6898 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,2,0,0,0,0|1,0,1]=4 6899 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,2,0,0,0,0|1,0,1]=4 6900 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,2,0,0,0,0|1,0,1]=4 6901 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,2,0,0,0,0|1,0,1]=4 6902 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,2,0,0,0,0|1,0,1]=4 6903 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,2,0,0,0,0|0,0,2]=4 6904 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,2,0,0,0,0|1,0,1]=4 6905 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,2,0,0,0,0|0,0,1]=3 6906 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,2,0,0,0,0|0,0,1]=3 6907 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [0,2,0,0,0,0|1,0,1]=4 6908 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [0,2,0,0,0,0|1,0,1]=4 6909 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [0,2,0,0,0,0|1,0,1]=4 6910 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [0,2,0,0,0,0|1,0,1]=4 6911 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [0,2,0,0,0,0|1,0,0]=3 6912 B11R0.42 CC(C)C(=O)NCCNCCO 2230a_100000752568_100000211926 [0,2,0,0,0,0|2,0,0]=4 6913 B11R0.42 CC(C)C(=O)NCCNCCO 34a_100000752568_100000211926 [0,2,0,0,0,0|2,0,0]=4 6914 B11R0.42 CC(C)C(=O)NCCOCCO 240690a_100000211614_100000210198 [0,2,0,0,0,0|2,0,0]=4 6915 B11R0.42 CC(C)C(=O)NCCSCCO 240690a_100011219999_100000210198 [0,2,0,0,0,0|2,0,0]=4 6916 B11R0.42 CC(C)C(=O)NCCSCCO 527a_100011219999_100000210198 [0,2,0,0,0,0|2,0,0]=4 6917 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100000139345_100011215043 [0,2,0,0,0,0|2,0,0]=4 6918 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100011215043_100000139345 [0,2,0,0,0,0|2,0,0]=4 6919 B11R0.42 CC(C)C(C)NCCCCCO 2230a_100000211541_100000746330 [0,2,0,0,0,0|1,0,1]=4 6920 B11R0.42 CC(C)C(C)OCCCCCO 7a_100000748068_100000746330 [0,2,0,0,0,0|1,0,1]=4 6921 B11R0.42 CC(C)N(C)CCCCCCO 269982a_200000211004_100000766143 [0,2,0,0,0,0|1,0,1]=4 6922 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,2,0,0,0,0|1,0,1]=4 6923 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,2,0,0,0,0|0,0,1]=3 6924 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [0,2,0,0,0,0|1,0,0]=3 6925 B11R0.42 CC(F)C(=O)NCCOCCO 240690a_100000211614_100000062450 [0,2,0,0,0,0|2,0,0]=4 6926 B11R0.42 CC(F)C(=O)NCCSCCO 240690a_100011219999_100000062450 [0,2,0,0,0,0|2,0,0]=4 6927 B11R0.42 CC(F)C(=O)NCCSCCO 527a_100011219999_100000062450 [0,2,0,0,0,0|2,0,0]=4 6928 B11R0.42 CC/C=C\CCNC(C)C(C)C 2230a_100000211541_100015370543 [0,2,0,0,0,0|2,0,0]=4 6929 B11R0.42 CC/C=C\CCN[C@@H](C)C(=O)O 269956a_100000743915_100015370543 [0,2,0,0,0,0|1,0,1]=4 6930 B11R0.42 CC/C=C\CCOC(C)C(C)C 7a_100000748068_100015370543 [0,2,0,0,0,0|2,0,0]=4 6931 B11R0.42 CC/C=C\CNCC(C)C(=O)O 269956a_100000749485_100103147603 [0,2,0,0,0,0|1,0,1]=4 6932 B11R0.42 CC/C=C\CNCC(F)C(=O)O 269956a_100000084737_100103147603 [0,2,0,0,0,0|1,0,1]=4 6933 B11R0.42 CC/C=C\CNCC(O)C(C)C 2230a_100000759067_100103147603 [0,2,0,0,0,0|2,0,0]=4 6934 B11R0.42 CC/C=C\CNCC(O)C(C)C 34a_100000759067_100103147603 [0,2,0,0,0,0|2,0,0]=4 6935 B11R0.42 CC/C=C\COC[C@H](N)C(C)C 34a_100011830312_100103147603 [0,2,0,0,0,0|2,0,0]=4 6936 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,2,0,0,0,0|1,0,1]=4 6937 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,2,0,0,0,0|1,0,1]=4 6938 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,2,0,0,0,0|1,0,1]=4 6939 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,2,0,0,0,0|1,0,1]=4 6940 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|1,0,1]=4 6941 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|1,0,1]=4 6942 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 6943 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 6944 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 6945 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 6946 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 6947 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 6948 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 6949 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 6950 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,2,0,0,0,0|2,0,0]=4 6951 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,2,0,0,0,0|2,0,0]=4 6952 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,2,0,0,0,0|2,0,0]=4 6953 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,2,0,0,0,0|1,0,1]=4 6954 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,2,0,0,0,0|1,0,1]=4 6955 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,2,0,0,0,0|0,0,1]=3 6956 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,2,0,0,0,0|1,0,0]=3 6957 B11R0.42 C[C@@H](O)C(=O)NCCOCCO 240690a_100000211614_100000717761 [0,2,0,0,0,0|2,0,0]=4 6958 B11R0.42 C[C@@H](O)C(=O)NCCSCCO 240690a_100011219999_100000717761 [0,2,0,0,0,0|2,0,0]=4 6959 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,2,0,0,0,0|1,0,1]=4 6960 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,2,0,0,0,0|0,0,1]=3 6961 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,2,0,0,0,0|1,0,0]=3 6962 B11R0.42 C[C@H](O)C(=O)NCCOCCO 240690a_100000211614_217856618621 [0,2,0,0,0,0|2,0,0]=4 6963 B11R0.42 C[C@H](O)C(=O)NCCSCCO 240690a_100011219999_217856618621 [0,2,0,0,0,0|2,0,0]=4 6964 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,2,0,0,0,0|1,0,1]=4 6965 B11R0.42 O=C(NCCCCCO)C(F)F 240690a_100000762737_100000210393 [0,2,0,0,0,0|2,0,0]=4 6966 B11R0.42 O=C(NCCCCCO)C(O)O 240690a_100000762737_100000233687 [0,2,0,0,0,0|2,0,0]=4 6967 B11R0.46 CC(C)C=CC(=O)CCCCF 1458a_100016268746_100000729493 [0,2,0,0,0,0|1,0,1]=4 6968 B11R0.46 CC(C)C=CC(=O)CCCCO 1458a_100016268746_100000210776 [0,2,0,0,0,0|0,0,1]=3 6969 B11R0.46 CC(C)C=CC(=O)NCCCO 240690a_100000182051_100016268746 [0,2,0,0,0,0|1,0,1]=4 6970 B11R0.46 CC/C=C/CC(=O)CCC(C)C 1458a_100016274230_100000210312 [0,2,0,0,0,0|1,0,1]=4 6971 B11R0.46 CC/C=C/CC(=O)CCC(C)O 1458a_100016274230_100012276601 [0,2,0,0,0,0|0,0,1]=3 6972 B11R0.46 CC/C=C/CC(=O)NCC(C)O 11a_100000210904_100016274230 [0,2,0,0,0,0|1,0,1]=4 6973 B11R0.46 CC/C=C/CC(=O)NCC(C)O 240690a_100000210904_100016274230 [0,2,0,0,0,0|1,0,1]=4 6974 B11R0.46 CC/C=C/CC(=O)NCC(C)O 527a_100000210904_100016274230 [0,2,0,0,0,0|1,0,1]=4 6975 B11R0.46 CC/C=C\CC(=O)CCC(C)C 1458a_100000181311_100103147603 [0,2,0,0,0,0|1,0,1]=4 6976 B11R0.46 CC/C=C\CN(C)CCC(C)C 2230a_100000742789_100103147603 [0,2,0,0,0,0|2,0,0]=4 6977 B11R0.46 CC/C=C\CN(C)CCC(C)C 269982a_100000742789_100103147603 [0,2,0,0,0,0|2,0,0]=4 6978 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [0,2,0,0,0,0|1,0,1]=4 6979 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,2,0,0,0,0|1,0,1]=4 6980 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,2,0,0,0,0|1,0,1]=4 6981 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,2,0,0,0,0|1,0,1]=4 6982 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,2,0,0,0,0|1,0,1]=4 6983 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,2,0,0,0,0|1,0,1]=4 6984 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,2,0,0,0,0|1,0,1]=4 6985 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [0,2,0,0,0,0|2,0,0]=4 6986 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [0,2,0,0,0,0|2,0,0]=4 6987 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [0,2,0,0,0,0|2,0,0]=4 6988 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [0,2,0,0,0,0|2,0,0]=4 6989 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [0,2,0,0,0,0|2,0,0]=4 6990 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [0,2,0,0,0,0|2,0,0]=4 6991 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,2,0,0,0,0|2,0,0]=4 6992 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,2,0,0,0,0|2,0,0]=4 6993 B11R0.147 CC(C)/C=C/CC(=O)CCCF 1458a_100016292215_100011934791 [0,2,0,0,0,0|1,0,1]=4 6994 B11R0.147 CC(C)/C=C/CC(=O)CCCO 1458a_100016292215_100011215043 [0,2,0,0,0,0|0,0,1]=3 6995 B11R0.147 CC(C)/C=C/CC(=O)NCCO 240690a_100000210304_100016292215 [0,2,0,0,0,0|1,0,1]=4 6996 B11R0.147 CC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000210760 [0,2,0,0,0,0|1,0,1]=4 6997 B11R0.147 CC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000210432 [0,2,0,0,0,0|1,0,1]=4 6998 B11R0.147 CC(C)CNC[C@H](C)CCCO 34a_100160569302_100000210624 [0,2,0,0,0,0|1,0,1]=4 6999 B11R0.147 CC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218427 [0,2,0,0,0,0|1,0,1]=4 7000 B11R0.147 CC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218427 [0,2,0,0,0,0|1,0,1]=4 7001 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [0,2,0,0,0,0|1,0,1]=4 7002 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,2,0,0,0,0|0,0,1]=3 7003 B11R0.147 CCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212282 [0,2,0,0,0,0|1,0,1]=4 7004 B11R0.147 CCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210211 [0,2,0,0,0,0|1,0,1]=4 7005 B11R0.147 COC=CC(=O)CCCC(C)O 1458a_100016268678_200000718107 [0,2,0,0,0,0|1,0,1]=4 7006 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 2230a_100160569302_100009817552 [0,2,0,0,0,0|1,0,1]=4 7007 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 34a_100160569302_100009817552 [0,2,0,0,0,0|1,0,1]=4 7008 B11R0.148 C/C=C/C=C/COCCC(C)O 34a_100016283227_100012276601 [0,2,0,0,0,0|0,0,2]=4 7009 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,2,0,0,0,0|0,0,2]=4 7010 B11R0.148 C=C(Br)CCOCC/C=C\CC 34a_100009813270_100015370543 [0,2,0,0,0,0|1,0,1]=4 7011 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,2,0,0,0,0|1,0,1]=4 7012 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,2,0,0,0,0|1,0,1]=4 7013 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100000764851_100015370543 [0,2,0,0,0,0|1,0,1]=4 7014 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100016288707_100000730704 [0,2,0,0,0,0|1,0,1]=4 7015 B11R0.148 C=C(C)CCOCC/C=C\CC 7a_100016288707_100000730704 [0,2,0,0,0,0|1,0,1]=4 7016 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,2,0,0,0,0|1,0,1]=4 7017 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100000730704_100015370543 [0,2,0,0,0,0|1,0,1]=4 7018 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100015370543_100000730704 [0,2,0,0,0,0|1,0,1]=4 7019 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,2,0,0,0,0|1,0,1]=4 7020 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,2,0,0,0,0|1,0,1]=4 7021 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,2,0,0,0,0|1,0,1]=4 7022 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,2,0,0,0,0|1,0,1]=4 7023 B11R0.148 C=C(C)COCCC/C=C/CC 34a_100016287902_100000748629 [0,2,0,0,0,0|1,0,1]=4 7024 B11R0.148 C=C(C)COCCC/C=C/CC 7a_100016287902_100000748629 [0,2,0,0,0,0|1,0,1]=4 7025 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,2,0,0,0,0|1,0,1]=4 7026 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,2,0,0,0,0|1,0,1]=4 7027 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,2,0,0,0,0|1,0,1]=4 7028 B11R0.148 C=C(F)COCCC/C=C/CC 34a_100016287902_100009893438 [0,2,0,0,0,0|1,0,1]=4 7029 B11R0.148 C=C(F)COCCC/C=C/CC 7a_100016287902_100000042424 [0,2,0,0,0,0|1,0,1]=4 7030 B11R0.148 CC(=CCCNCCCCO)C 2230a_100000750430_100011217483 [0,2,0,0,0,0|0,0,2]=4 7031 B11R0.148 CC(=CCCNCCCCO)C 34a_100000750430_100011217483 [0,2,0,0,0,0|0,0,2]=4 7032 B11R0.148 CC(=CCCSCCCCO)C 62a_100000210776_100011217483 [0,2,0,0,0,0|0,0,2]=4 7033 B11R0.148 CC(=CCCSCCCCO)C 62a_100011217483_100000210776 [0,2,0,0,0,0|0,0,2]=4 7034 B11R0.148 CC(=CCNCCCCCO)C 2230a_100000762737_100000761012 [0,2,0,0,0,0|0,0,2]=4 7035 B11R0.148 CC(=CCNCCCCCO)C 34a_100000718196_100000746330 [0,2,0,0,0,0|0,0,2]=4 7036 B11R0.148 CC(=CCNCCCCCO)C 34a_100000762737_100000761012 [0,2,0,0,0,0|0,0,2]=4 7037 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [0,2,0,0,0,0|0,0,2]=4 7038 B11R0.148 CC(=CCSCCCCCO)C 62a_100000746330_100000761012 [0,2,0,0,0,0|0,0,2]=4 7039 B11R0.148 CC(=CCSCCCCCO)C 62a_100000761012_100000746330 [0,2,0,0,0,0|0,0,2]=4 7040 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|0,0,2]=4 7041 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|1,0,1]=4 7042 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|1,0,1]=4 7043 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,2,0,0,0,0|1,0,1]=4 7044 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,2,0,0,0,0|1,0,1]=4 7045 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|1,0,1]=4 7046 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,2,0,0,0,0|0,0,2]=4 7047 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,2,0,0,0,0|0,0,2]=4 7048 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,2,0,0,0,0|0,0,2]=4 7049 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,2,0,0,0,0|0,0,2]=4 7050 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,2,0,0,0,0|0,0,2]=4 7051 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,2,0,0,0,0|0,0,2]=4 7052 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,2,0,0,0,0|0,0,2]=4 7053 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,2,0,0,0,0|0,0,2]=4 7054 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,2,0,0,0,0|0,0,2]=4 7055 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,2,0,0,0,0|0,0,2]=4 7056 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,2,0,0,0,0|0,0,2]=4 7057 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,2,0,0,0,0|0,0,2]=4 7058 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,2,0,0,0,0|0,0,2]=4 7059 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,2,0,0,0,0|0,0,2]=4 7060 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,2,0,0,0,0|0,0,2]=4 7061 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,2,0,0,0,0|0,0,2]=4 7062 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,2,0,0,0,0|0,0,2]=4 7063 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,2,0,0,0,0|0,0,2]=4 7064 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,2,0,0,0,0|0,0,2]=4 7065 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,2,0,0,0,0|0,0,2]=4 7066 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,2,0,0,0,0|0,0,2]=4 7067 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,2,0,0,0,0|0,0,2]=4 7068 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,2,0,0,0,0|0,0,2]=4 7069 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,2,0,0,0,0|0,0,2]=4 7070 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,2,0,0,0,0|0,0,2]=4 7071 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,2,0,0,0,0|0,0,2]=4 7072 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,2,0,0,0,0|0,0,2]=4 7073 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,2,0,0,0,0|0,0,2]=4 7074 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,2,0,0,0,0|0,0,2]=4 7075 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,2,0,0,0,0|0,0,2]=4 7076 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,2,0,0,0,0|0,0,2]=4 7077 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,2,0,0,0,0|0,0,2]=4 7078 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,2,0,0,0,0|0,0,2]=4 7079 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,2,0,0,0,0|0,0,2]=4 7080 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,2,0,0,0,0|0,0,2]=4 7081 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,2,0,0,0,0|0,0,2]=4 7082 B11R0.148 CC(C)CNCCOCCCO 34a_100015185251_100000230001 [0,2,0,0,0,0|1,0,1]=4 7083 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,2,0,0,0,0|0,0,2]=4 7084 B11R0.148 CC(C)COCCCNCCO 2230a_100000205972_100000211926 [0,2,0,0,0,0|1,0,1]=4 7085 B11R0.148 CC(C)COCCCNCCO 34a_100000205972_100000211926 [0,2,0,0,0,0|1,0,1]=4 7086 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [0,2,0,0,0,0|1,0,1]=4 7087 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [0,2,0,0,0,0|1,0,1]=4 7088 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,2,0,0,0,0|0,0,2]=4 7089 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,2,0,0,0,0|0,0,2]=4 7090 B11R0.148 CC(C)CSCCOCCCO 34a_200000230437_100000230001 [0,2,0,0,0,0|1,0,1]=4 7091 B11R0.148 CC(C)CSCCOCCCO 7a_200000230437_100011215043 [0,2,0,0,0,0|1,0,1]=4 7092 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,2,0,0,0,0|0,0,2]=4 7093 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,2,0,0,0,0|0,0,2]=4 7094 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,2,0,0,0,0|0,0,2]=4 7095 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,2,0,0,0,0|0,0,2]=4 7096 B11R0.148 CC(C)NCCCCOCCO 34a_100011521146_100000211926 [0,2,0,0,0,0|1,0,1]=4 7097 B11R0.148 CC(C)NCCCOCCCO 2230a_100011310245_100000210206 [0,2,0,0,0,0|1,0,1]=4 7098 B11R0.148 CC(C)NCCCOCCCO 34a_100000182298_100000230001 [0,2,0,0,0,0|1,0,1]=4 7099 B11R0.148 CC(C)NCCCOCCCO 34a_100011310245_100000210206 [0,2,0,0,0,0|1,0,1]=4 7100 B11R0.148 CC(C)NCCOCCCCO 34a_100000224655_100011216708 [0,2,0,0,0,0|1,0,1]=4 7101 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,2,0,0,0,0|0,0,2]=4 7102 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [0,2,0,0,0,0|1,0,1]=4 7103 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [0,2,0,0,0,0|1,0,1]=4 7104 B11R0.148 CC(C)OCCNCCCCO 2230a_100000701111_100000210776 [0,2,0,0,0,0|1,0,1]=4 7105 B11R0.148 CC(C)OCCNCCCCO 2230a_100000750430_100000211751 [0,2,0,0,0,0|1,0,1]=4 7106 B11R0.148 CC(C)OCCNCCCCO 34a_100000701111_100011216708 [0,2,0,0,0,0|1,0,1]=4 7107 B11R0.148 CC(C)OCCNCCCCO 34a_100000750430_100000211751 [0,2,0,0,0,0|1,0,1]=4 7108 B11R0.148 CC(C)OCCOCCCCO 34a_100000211219_100011216708 [0,2,0,0,0,0|1,0,1]=4 7109 B11R0.148 CC(C)OCCOCCCCO 7a_100000211219_100000210776 [0,2,0,0,0,0|1,0,1]=4 7110 B11R0.148 CC(C)OCCSCCCCO 62a_100000210776_100000211751 [0,2,0,0,0,0|1,0,1]=4 7111 B11R0.148 CC(C)OCCSCCCCO 62a_100000211751_100000210776 [0,2,0,0,0,0|1,0,1]=4 7112 B11R0.148 CC(C)OCNCCCCCO 2230a_100000762737_100000709892 [0,2,0,0,0,0|1,0,1]=4 7113 B11R0.148 CC(C)OCNCCCCCO 34a_100000762737_100000709892 [0,2,0,0,0,0|1,0,1]=4 7114 B11R0.148 CC(C)OCSCCCCCO 62a_100000709892_100000746330 [0,2,0,0,0,0|1,0,1]=4 7115 B11R0.148 CC(C)OCSCCCCCO 62a_100000746330_100000709892 [0,2,0,0,0,0|1,0,1]=4 7116 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,2,0,0,0,0|0,0,2]=4 7117 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,2,0,0,0,0|0,0,2]=4 7118 B11R0.148 CC(C)SCCNCCCCO 2230a_100000731138_100000210776 [0,2,0,0,0,0|1,0,1]=4 7119 B11R0.148 CC(C)SCCNCCCCO 2230a_100000750430_100000730970 [0,2,0,0,0,0|1,0,1]=4 7120 B11R0.148 CC(C)SCCNCCCCO 34a_100000731138_100011216708 [0,2,0,0,0,0|1,0,1]=4 7121 B11R0.148 CC(C)SCCNCCCCO 34a_100000750430_100000730970 [0,2,0,0,0,0|1,0,1]=4 7122 B11R0.148 CC(C)SCCOCCCCO 34a_200011212901_100011216708 [0,2,0,0,0,0|1,0,1]=4 7123 B11R0.148 CC(C)SCCOCCCCO 7a_200011212901_100000210776 [0,2,0,0,0,0|1,0,1]=4 7124 B11R0.148 CC(C)SCCSCCCCO 62a_100000210776_100000730970 [0,2,0,0,0,0|1,0,1]=4 7125 B11R0.148 CC(C)SCCSCCCCO 62a_100000730970_100000210776 [0,2,0,0,0,0|1,0,1]=4 7126 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,2,0,0,0,0|0,0,2]=4 7127 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,2,0,0,0,0|0,0,2]=4 7128 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,2,0,0,0,0|0,0,2]=4 7129 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,2,0,0,0,0|0,0,2]=4 7130 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,2,0,0,0,0|0,0,2]=4 7131 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,2,0,0,0,0|0,0,2]=4 7132 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,2,0,0,0,0|0,0,2]=4 7133 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,2,0,0,0,0|0,0,2]=4 7134 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,2,0,0,0,0|0,0,2]=4 7135 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,2,0,0,0,0|0,0,2]=4 7136 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,2,0,0,0,0|0,0,2]=4 7137 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,2,0,0,0,0|0,0,2]=4 7138 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|0,0,2]=4 7139 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,2,0,0,0,0|0,0,2]=4 7140 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,2,0,0,0,0|0,0,2]=4 7141 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,2,0,0,0,0|0,0,2]=4 7142 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,2,0,0,0,0|0,0,2]=4 7143 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,2,0,0,0,0|0,0,2]=4 7144 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,2,0,0,0,0|0,0,2]=4 7145 B11R0.148 CC/C=C/CCCOCC(C)C 34a_100016287902_100000210624 [0,2,0,0,0,0|1,0,0]=3 7146 B11R0.148 CC/C=C/CCCOCC(C)C 7a_100016287902_100000210760 [0,2,0,0,0,0|1,0,0]=3 7147 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [0,2,0,0,0,0|0,0,0]=2 7148 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [0,2,0,0,0,0|0,0,0]=2 7149 B11R0.148 CC/C=C/CCCOCC(F)F 34a_100016287902_100011934356 [0,2,0,0,0,0|1,0,0]=3 7150 B11R0.148 CC/C=C/CCCOCC(F)F 7a_100016287902_100011934356 [0,2,0,0,0,0|1,0,0]=3 7151 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [0,2,0,0,0,0|0,0,0]=2 7152 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [0,2,0,0,0,0|0,0,0]=2 7153 B11R0.148 CC/C=C/CCCOC[N+](=O)[O-] 34a_100016287902_100000761209 [0,2,0,0,0,0|1,0,1]=4 7154 B11R0.148 CC/C=C\CCCCOC(C)C 34a_100016287862_100000210206 [0,2,0,0,0,0|1,0,0]=3 7155 B11R0.148 CC/C=C\CCCCOC(C)C 7a_100016287862_100000210206 [0,2,0,0,0,0|1,0,0]=3 7156 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [0,2,0,0,0,0|0,0,0]=2 7157 B11R0.148 CC/C=C\CCNOCC(=O)O 269956a_100000106656_100015370543 [0,2,0,0,0,0|1,0,1]=4 7158 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 7159 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 7160 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|0,0,2]=4 7161 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,2,0,0,0,0|0,0,2]=4 7162 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,2,0,0,0,0|0,0,2]=4 7163 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,2,0,0,0,0|0,0,2]=4 7164 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,2,0,0,0,0|0,0,2]=4 7165 B11R0.148 CC/C=C\CCOCCC(C)Br 34a_100009893172_100015370543 [0,2,0,0,0,0|1,0,0]=3 7166 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100000210254_100015370543 [0,2,0,0,0,0|1,0,0]=3 7167 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100016288707_100000210312 [0,2,0,0,0,0|1,0,0]=3 7168 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100000210254_100015370543 [0,2,0,0,0,0|1,0,0]=3 7169 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100016288707_100000210626 [0,2,0,0,0,0|1,0,0]=3 7170 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [0,2,0,0,0,0|0,0,0]=2 7171 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [0,2,0,0,0,0|0,0,0]=2 7172 B11R0.148 CC/C=C\CCOCCC(F)F 34a_100103093639_100015370543 [0,2,0,0,0,0|1,0,0]=3 7173 B11R0.148 CC/C=C\CCOCCN(C)C 7a_100016288707_100000755713 [0,2,0,0,0,0|2,0,0]=4 7174 B11R0.148 CC/C=C\CCOCC[C@@H](C)N 34a_100000706166_100015370543 [0,2,0,0,0,0|1,0,0]=3 7175 B11R0.148 CC/C=C\CCOCOC(C)C 34a_100016288707_100000709892 [0,2,0,0,0,0|2,0,0]=4 7176 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,2,0,0,0,0|0,0,2]=4 7177 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,2,0,0,0,0|0,0,2]=4 7178 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,2,0,0,0,0|0,0,2]=4 7179 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,2,0,0,0,0|0,0,2]=4 7180 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100000210312_100015370543 [0,2,0,0,0,0|1,0,0]=3 7181 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100015370543_100000210312 [0,2,0,0,0,0|1,0,0]=3 7182 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [0,2,0,0,0,0|0,0,0]=2 7183 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [0,2,0,0,0,0|0,0,0]=2 7184 B11R0.148 CC/C=C\CCSCCN(C)C 62a_100015370543_100000755713 [0,2,0,0,0,0|2,0,0]=4 7185 B11R0.148 CC/C=C\CCSCOC(C)C 62a_100000709892_100015370543 [0,2,0,0,0,0|2,0,0]=4 7186 B11R0.148 CC/C=C\CCSCOC(C)C 62a_100015370543_100000709892 [0,2,0,0,0,0|2,0,0]=4 7187 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,2,0,0,0,0|0,0,2]=4 7188 B11R0.148 CC/C=C\CNCCCC(C)C 2230a_200000737386_100103147603 [0,2,0,0,0,0|1,0,0]=3 7189 B11R0.148 CC/C=C\CNCCCC(C)C 34a_200000737386_100103147603 [0,2,0,0,0,0|1,0,0]=3 7190 B11R0.148 CC/C=C\CNCCCS(=O)C 2230a_200000753449_100103147603 [0,2,0,0,0,0|1,0,1]=4 7191 B11R0.148 CC/C=C\CNCCOC(C)C 2230a_100000701111_100103147603 [0,2,0,0,0,0|2,0,0]=4 7192 B11R0.148 CC/C=C\CNCCOC(C)C 34a_100000701111_100103147603 [0,2,0,0,0,0|2,0,0]=4 7193 B11R0.148 CC/C=C\CNCCSC(C)C 2230a_100000731138_100103147603 [0,2,0,0,0,0|2,0,0]=4 7194 B11R0.148 CC/C=C\CNCCSC(C)C 34a_100000731138_100103147603 [0,2,0,0,0,0|2,0,0]=4 7195 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,2,0,0,0,0|0,0,2]=4 7196 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,2,0,0,0,0|0,0,2]=4 7197 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,2,0,0,0,0|0,0,2]=4 7198 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,2,0,0,0,0|0,0,2]=4 7199 B11R0.148 CC/C=C\COCCCC(C)C 34a_100000210774_100103147603 [0,2,0,0,0,0|1,0,0]=3 7200 B11R0.148 CC/C=C\COCCCC(C)C 34a_100016268518_100011214892 [0,2,0,0,0,0|1,0,0]=3 7201 B11R0.148 CC/C=C\COCCCC(C)C 7a_100000210774_100103147603 [0,2,0,0,0,0|1,0,0]=3 7202 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [0,2,0,0,0,0|0,0,0]=2 7203 B11R0.148 CC/C=C\COCCC[N+](=O)[O-] 34a_200000037920_100103147603 [0,2,0,0,0,0|1,0,1]=4 7204 B11R0.148 CC/C=C\COCCNC(C)C 34a_100000224655_100103147603 [0,2,0,0,0,0|2,0,0]=4 7205 B11R0.148 CC/C=C\COCCOC(C)C 34a_100000211219_100103147603 [0,2,0,0,0,0|2,0,0]=4 7206 B11R0.148 CC/C=C\COCCOC(C)C 34a_100016268518_100000211751 [0,2,0,0,0,0|2,0,0]=4 7207 B11R0.148 CC/C=C\COCCOC(C)C 7a_100000211219_100103147603 [0,2,0,0,0,0|2,0,0]=4 7208 B11R0.148 CC/C=C\COCCSC(C)C 34a_100016268518_100000730970 [0,2,0,0,0,0|2,0,0]=4 7209 B11R0.148 CC/C=C\COCCSC(C)C 34a_200011212901_100103147603 [0,2,0,0,0,0|2,0,0]=4 7210 B11R0.148 CC/C=C\COCCSC(C)C 7a_200011212901_100103147603 [0,2,0,0,0,0|2,0,0]=4 7211 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,2,0,0,0,0|0,0,2]=4 7212 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,2,0,0,0,0|0,0,2]=4 7213 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,2,0,0,0,0|0,0,2]=4 7214 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,2,0,0,0,0|0,0,2]=4 7215 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100011214892_100103147603 [0,2,0,0,0,0|1,0,0]=3 7216 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100103147603_100011214892 [0,2,0,0,0,0|1,0,0]=3 7217 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [0,2,0,0,0,0|0,0,0]=2 7218 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [0,2,0,0,0,0|0,0,0]=2 7219 B11R0.148 CC/C=C\CSCCCN(C)C 62a_100103147603_100000757444 [0,2,0,0,0,0|2,0,0]=4 7220 B11R0.148 CC/C=C\CSCCOC(C)C 62a_100000211751_100103147603 [0,2,0,0,0,0|2,0,0]=4 7221 B11R0.148 CC/C=C\CSCCOC(C)C 62a_100103147603_100000211751 [0,2,0,0,0,0|2,0,0]=4 7222 B11R0.148 CC/C=C\CSCCSC(C)C 62a_100000730970_100103147603 [0,2,0,0,0,0|2,0,0]=4 7223 B11R0.148 CC/C=C\CSCCSC(C)C 62a_100103147603_100000730970 [0,2,0,0,0,0|2,0,0]=4 7224 B11R0.148 CC=C=CCCOCCC(C)O 34a_100011020354_100012276601 [0,2,0,0,0,0|0,0,2]=4 7225 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,2,0,0,0,0|0,0,2]=4 7226 B11R0.148 CCC#CCCOCCC(C)O 34a_100000036655_100012276601 [0,2,0,0,0,0|0,0,2]=4 7227 B11R0.148 CCC#CCCOCCC(C)O 7a_100000036655_100012276601 [0,2,0,0,0,0|0,0,2]=4 7228 B11R0.148 CCC#CCOCCCC(C)O 34a_100000032950_200000718107 [0,2,0,0,0,0|0,0,2]=4 7229 B11R0.148 CCC#CCSCCCC(C)O 62a_100009813939_200000718107 [0,2,0,0,0,0|0,0,2]=4 7230 B11R0.148 CCC#CCSCCCC(C)O 62a_200000718107_100009813939 [0,2,0,0,0,0|0,0,2]=4 7231 B11R0.148 CCC/C=C/COCCC(C)C 34a_100016278788_100000210312 [0,2,0,0,0,0|2,0,0]=4 7232 B11R0.148 CCC/C=C/COCCC(C)C 7a_100016278788_100000210626 [0,2,0,0,0,0|2,0,0]=4 7233 B11R0.148 CCC/C=C/COCCC(C)O 34a_100016278788_100012276601 [0,2,0,0,0,0|1,0,0]=3 7234 B11R0.148 CCC/C=C/COCCC(C)O 7a_100016278788_100012276601 [0,2,0,0,0,0|1,0,0]=3 7235 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|1,0,0]=3 7236 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|1,0,0]=3 7237 B11R0.148 CCCCCCC=NNC(C)C 4a_100000741168_100000234349 [0,2,0,0,0,0|2,0,0]=4 7238 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,2,0,0,0,0|1,0,1]=4 7239 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,2,0,0,0,0|1,0,1]=4 7240 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,2,0,0,0,0|0,0,2]=4 7241 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,2,0,0,0,0|0,0,2]=4 7242 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,2,0,0,0,0|0,0,2]=4 7243 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,2,0,0,0,0|0,0,2]=4 7244 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,2,0,0,0,0|0,0,2]=4 7245 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,2,0,0,0,0|0,0,2]=4 7246 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,2,0,0,0,0|0,0,2]=4 7247 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,2,0,0,0,0|0,0,2]=4 7248 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,2,0,0,0,0|0,0,2]=4 7249 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,2,0,0,0,0|0,0,2]=4 7250 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,2,0,0,0,0|0,0,2]=4 7251 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,2,0,0,0,0|0,0,2]=4 7252 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,2,0,0,0,0|0,0,2]=4 7253 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,2,0,0,0,0|0,0,2]=4 7254 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,2,0,0,0,0|0,0,2]=4 7255 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,2,0,0,0,0|0,0,2]=4 7256 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,2,0,0,0,0|0,0,2]=4 7257 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,2,0,0,0,0|0,0,2]=4 7258 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,2,0,0,0,0|0,0,2]=4 7259 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,2,0,0,0,0|0,0,2]=4 7260 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,2,0,0,0,0|0,0,2]=4 7261 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,2,0,0,0,0|0,0,2]=4 7262 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,2,0,0,0,0|0,0,2]=4 7263 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,2,0,0,0,0|1,0,1]=4 7264 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,2,0,0,0,0|1,0,1]=4 7265 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,2,0,0,0,0|1,0,1]=4 7266 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,2,0,0,0,0|1,0,1]=4 7267 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,2,0,0,0,0|1,0,1]=4 7268 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,2,0,0,0,0|1,0,1]=4 7269 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,2,0,0,0,0|1,0,1]=4 7270 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,2,0,0,0,0|1,0,1]=4 7271 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,2,0,0,0,0|1,0,1]=4 7272 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,2,0,0,0,0|1,0,1]=4 7273 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,2,0,0,0,0|1,0,1]=4 7274 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,2,0,0,0,0|1,0,1]=4 7275 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,2,0,0,0,0|1,0,1]=4 7276 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,2,0,0,0,0|1,0,1]=4 7277 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,2,0,0,0,0|1,0,1]=4 7278 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,2,0,0,0,0|1,0,1]=4 7279 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,2,0,0,0,0|1,0,1]=4 7280 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,2,0,0,0,0|1,0,1]=4 7281 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,2,0,0,0,0|1,0,1]=4 7282 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,2,0,0,0,0|1,0,1]=4 7283 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,2,0,0,0,0|1,0,1]=4 7284 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,2,0,0,0,0|1,0,1]=4 7285 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,2,0,0,0,0|1,0,1]=4 7286 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,2,0,0,0,0|1,0,1]=4 7287 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,2,0,0,0,0|1,0,1]=4 7288 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,2,0,0,0,0|1,0,1]=4 7289 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,2,0,0,0,0|1,0,1]=4 7290 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,2,0,0,0,0|1,0,1]=4 7291 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,2,0,0,0,0|1,0,1]=4 7292 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,2,0,0,0,0|1,0,1]=4 7293 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,2,0,0,0,0|1,0,1]=4 7294 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,2,0,0,0,0|1,0,1]=4 7295 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,2,0,0,0,0|1,0,1]=4 7296 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,2,0,0,0,0|1,0,1]=4 7297 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,2,0,0,0,0|1,0,1]=4 7298 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,2,0,0,0,0|1,0,1]=4 7299 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,2,0,0,0,0|1,0,1]=4 7300 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,2,0,0,0,0|1,0,1]=4 7301 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,2,0,0,0,0|1,0,1]=4 7302 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,2,0,0,0,0|1,0,1]=4 7303 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,2,0,0,0,0|1,0,1]=4 7304 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,2,0,0,0,0|0,0,2]=4 7305 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,2,0,0,0,0|0,0,2]=4 7306 B11R0.148 CN(C)CCSCCCCCO 62a_100000746330_100000755713 [0,2,0,0,0,0|1,0,1]=4 7307 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,2,0,0,0,0|0,0,2]=4 7308 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,2,0,0,0,0|0,0,2]=4 7309 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,2,0,0,0,0|1,0,1]=4 7310 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,2,0,0,0,0|1,0,1]=4 7311 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,2,0,0,0,0|1,0,1]=4 7312 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,2,0,0,0,0|1,0,1]=4 7313 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,2,0,0,0,0|1,0,1]=4 7314 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,2,0,0,0,0|1,0,1]=4 7315 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,2,0,0,0,0|1,0,1]=4 7316 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [0,2,0,0,0,0|1,0,1]=4 7317 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [0,2,0,0,0,0|1,0,1]=4 7318 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [0,2,0,0,0,0|1,0,1]=4 7319 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,2,0,0,0,0|1,0,1]=4 7320 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,2,0,0,0,0|1,0,1]=4 7321 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,2,0,0,0,0|1,0,1]=4 7322 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,2,0,0,0,0|1,0,1]=4 7323 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,2,0,0,0,0|0,0,2]=4 7324 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|0,0,2]=4 7325 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,2,0,0,0,0|0,0,2]=4 7326 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,2,0,0,0,0|0,0,2]=4 7327 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,2,0,0,0,0|0,0,2]=4 7328 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,2,0,0,0,0|0,0,2]=4 7329 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,2,0,0,0,0|0,0,2]=4 7330 B11R0.148 OCCCCCCNCC(F)F 2230a_100000686447_100011934356 [0,2,0,0,0,0|1,0,1]=4 7331 B11R0.148 OCCCCCCNCC(F)F 34a_100000686447_100011934356 [0,2,0,0,0,0|1,0,1]=4 7332 B11R0.148 OCCCCCCNCC(F)F 34a_100000765723_100000766143 [0,2,0,0,0,0|1,0,1]=4 7333 B11R0.148 OCCCCCCOCC(F)F 34a_100000743014_100000766143 [0,2,0,0,0,0|1,0,1]=4 7334 B11R0.148 OCCCCCCSCC(F)F 62a_100000766143_100011934356 [0,2,0,0,0,0|1,0,1]=4 7335 B11R0.148 OCCCCCCSCC(F)F 62a_100011934356_100000766143 [0,2,0,0,0,0|1,0,1]=4 7336 B11R0.148 OCCCCCOCCC(F)F 34a_100103093639_100000746330 [0,2,0,0,0,0|1,0,1]=4 7337 B11R0.148 OCCCCNC/C=C/B(O)O 2230a_100000750430_100016262062 [0,2,0,0,0,0|2,0,0]=4 7338 B11R0.148 OCCCCNC/C=C/B(O)O 34a_100000750430_100016262062 [0,2,0,0,0,0|2,0,0]=4 7339 B11R0.148 OCCCCSC/C=C/B(O)O 62a_100000210776_100016262062 [0,2,0,0,0,0|2,0,0]=4 7340 B11R0.148 OCCCCSC/C=C/B(O)O 62a_100016262062_100000210776 [0,2,0,0,0,0|2,0,0]=4 7341 B11R0.148 OCCNCCC/C=C/B(O)O 2230a_100016997473_200016261450 [0,2,0,0,0,0|2,0,0]=4 7342 B11R0.148 OCCNCCC/C=C/B(O)O 34a_100016990907_200016261450 [0,2,0,0,0,0|2,0,0]=4 7343 B11R0.148 OCCSCCC/C=C/B(O)O 62a_100000211926_200016261450 [0,2,0,0,0,0|2,0,0]=4 7344 B11R0.148 OCCSCCC/C=C/B(O)O 62a_200016261450_100000211926 [0,2,0,0,0,0|2,0,0]=4 7345 B11R0.159 CC(C)(C)CNCCCCCO 2230a_100000743828_100000746330 [0,2,0,0,0,0|1,0,1]=4 7346 B11R0.159 CC(C)(C)CNCCCCCO 270004a_100000762737_100011204126 [0,2,0,0,0,0|1,0,1]=4 7347 B11R0.159 CC(C)(C)CNCCCCCO 34a_100000762737_100011219605 [0,2,0,0,0,0|1,0,1]=4 7348 B11R0.159 CC(C)(C)CSCCCCCO 62a_100000746330_100011219605 [0,2,0,0,0,0|1,0,1]=4 7349 B11R0.159 CC(C)(C)CSCCCCCO 62a_100011219605_100000746330 [0,2,0,0,0,0|1,0,1]=4 7350 B11R0.159 CC(C)(C)NCCCCCCO 2230a_100000715429_100000766143 [0,2,0,0,0,0|1,0,1]=4 7351 B11R0.159 CC(C)(C)NCCCCCCO 34a_100000686447_100000210625 [0,2,0,0,0,0|1,0,1]=4 7352 B11R0.159 CC(C)(C)OCCCCCCO 34a_100015890283_100000766143 [0,2,0,0,0,0|1,0,1]=4 7353 B11R0.159 CC(C)(C)OCCCCCCO 7a_100015890283_100000766143 [0,2,0,0,0,0|1,0,1]=4 7354 B11R0.159 CC(C)(C)SCCCCCCO 62a_100000211941_100000766143 [0,2,0,0,0,0|1,0,1]=4 7355 B11R0.159 CC(C)(C)SCCCCCCO 62a_100000766143_100000211941 [0,2,0,0,0,0|1,0,1]=4 7356 B11R0.159 CC(C)(F)CNCCCCCO 2230a_100020643315_100000746330 [0,2,0,0,0,0|1,0,1]=4 7357 B11R0.159 CC(C)(F)CNCCCCCO 34a_100000762737_100011997219 [0,2,0,0,0,0|1,0,1]=4 7358 B11R0.159 CC(C)(F)COCCCCCO 34a_100000716592_100000746330 [0,2,0,0,0,0|1,0,1]=4 7359 B11R0.159 CC(C)(F)CSCCCCCO 62a_100000746330_100011997219 [0,2,0,0,0,0|1,0,1]=4 7360 B11R0.159 CC(C)(F)CSCCCCCO 62a_100011997219_100000746330 [0,2,0,0,0,0|1,0,1]=4 7361 B11R0.159 CC(C)(O)CNCCCCCO 2230a_100000751335_100000746330 [0,2,0,0,0,0|1,0,1]=4 7362 B11R0.159 CC(C)(O)CNCCCCCO 34a_100000762737_100000764493 [0,2,0,0,0,0|1,0,1]=4 7363 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000746330_100000764493 [0,2,0,0,0,0|1,0,1]=4 7364 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000764493_100000746330 [0,2,0,0,0,0|1,0,1]=4 7365 B11R0.159 CC(F)(F)COCCCCCO 34a_100000068830_100000746330 [0,2,0,0,0,0|1,0,1]=4 7366 B11R0.159 CC/C=C/CCCOC(C)(C)C 34a_100016287902_100000210625 [0,2,0,0,0,0|2,0,0]=4 7367 B11R0.159 CC/C=C/CCCOC(F)(F)F 34a_100016287902_200103152311 [0,2,0,0,0,0|2,0,0]=4 7368 B11R0.159 CC/C=C/CCCOC(F)(F)F 7a_100016287902_200000243211 [0,2,0,0,0,0|2,0,0]=4 7369 B11R0.159 CC/C=C\CCNCC(C)(C)C 2230a_100000743828_100015370543 [0,2,0,0,0,0|2,0,0]=4 7370 B11R0.159 CC/C=C\CCNCC(C)(C)F 2230a_100020643315_100015370543 [0,2,0,0,0,0|2,0,0]=4 7371 B11R0.159 CC/C=C\CCNCC(C)(C)O 2230a_100000751335_100015370543 [0,2,0,0,0,0|1,0,0]=3 7372 B11R0.159 CC/C=C\CCNCC(F)(F)F 34a_100000717047_100015370543 [0,2,0,0,0,0|2,0,0]=4 7373 B11R0.159 CC/C=C\CCOCC(C)(C)C 34a_100016288707_100011219605 [0,2,0,0,0,0|2,0,0]=4 7374 B11R0.159 CC/C=C\CCOCC(C)(C)F 34a_100000716592_100015370543 [0,2,0,0,0,0|2,0,0]=4 7375 B11R0.159 CC/C=C\CCOCC(C)(C)F 34a_100016288707_100011997219 [0,2,0,0,0,0|2,0,0]=4 7376 B11R0.159 CC/C=C\CCOCC(C)(C)O 34a_100016288707_100000764493 [0,2,0,0,0,0|1,0,0]=3 7377 B11R0.159 CC/C=C\CCOCC(C)(C)O 7a_100016288707_100000764493 [0,2,0,0,0,0|1,0,0]=3 7378 B11R0.159 CC/C=C\CCOCC(C)(F)F 34a_100000068830_100015370543 [0,2,0,0,0,0|2,0,0]=4 7379 B11R0.159 CC/C=C\CCOCC(F)(F)Br 34a_100011217949_100015370543 [0,2,0,0,0,0|2,0,0]=4 7380 B11R0.159 CC/C=C\CCOCC(F)(F)Cl 34a_100000734434_100015370543 [0,2,0,0,0,0|2,0,0]=4 7381 B11R0.159 CC/C=C\CCOCC(F)(F)F 34a_100000210435_100015370543 [0,2,0,0,0,0|2,0,0]=4 7382 B11R0.159 CC/C=C\CCSCC(C)(C)C 62a_100011219605_100015370543 [0,2,0,0,0,0|2,0,0]=4 7383 B11R0.159 CC/C=C\CCSCC(C)(C)C 62a_100015370543_100011219605 [0,2,0,0,0,0|2,0,0]=4 7384 B11R0.159 CC/C=C\CCSCC(C)(C)F 62a_100011997219_100015370543 [0,2,0,0,0,0|2,0,0]=4 7385 B11R0.159 CC/C=C\CCSCC(C)(C)F 62a_100015370543_100011997219 [0,2,0,0,0,0|2,0,0]=4 7386 B11R0.159 CC/C=C\CCSCC(C)(C)O 62a_100000764493_100015370543 [0,2,0,0,0,0|1,0,0]=3 7387 B11R0.159 CC/C=C\CCSCC(C)(C)O 62a_100015370543_100000764493 [0,2,0,0,0,0|1,0,0]=3 7388 B11R0.159 CC/C=C\CCSCC(F)(F)F 62a_100000763148_100015370543 [0,2,0,0,0,0|2,0,0]=4 7389 B11R0.159 CC/C=C\CCSCC(F)(F)F 62a_100015370543_100000763148 [0,2,0,0,0,0|2,0,0]=4 7390 B11R0.159 CC/C=C\CNCCC(C)(C)C 2230a_100000738805_100103147603 [0,2,0,0,0,0|2,0,0]=4 7391 B11R0.159 CC/C=C\CNCCC(C)(C)F 2230a_100016253952_100103147603 [0,2,0,0,0,0|2,0,0]=4 7392 B11R0.159 CC/C=C\CNCCC(F)(F)F 2230a_100000740434_100103147603 [0,2,0,0,0,0|2,0,0]=4 7393 B11R0.159 CC/C=C\CNCCC(F)(F)F 34a_100000740434_100103147603 [0,2,0,0,0,0|2,0,0]=4 7394 B11R0.159 CC/C=C\COCCC(C)(C)C 34a_100016268518_100000755188 [0,2,0,0,0,0|2,0,0]=4 7395 B11R0.159 CC/C=C\COCCC(C)(C)C 7a_100000765024_100103147603 [0,2,0,0,0,0|2,0,0]=4 7396 B11R0.159 CC/C=C\COCCC(C)(C)O 34a_100016268518_100000702414 [0,2,0,0,0,0|1,0,0]=3 7397 B11R0.159 CC/C=C\COCCC(F)(F)F 34a_100000752437_100103147603 [0,2,0,0,0,0|2,0,0]=4 7398 B11R0.159 CC/C=C\COCCC(F)(F)F 34a_100016268518_100011219754 [0,2,0,0,0,0|2,0,0]=4 7399 B11R0.159 CC/C=C\CSCCC(C)(C)C 62a_100000755188_100103147603 [0,2,0,0,0,0|2,0,0]=4 7400 B11R0.159 CC/C=C\CSCCC(C)(C)C 62a_100103147603_100000755188 [0,2,0,0,0,0|2,0,0]=4 7401 B11R0.159 CC/C=C\CSCCC(C)(C)O 62a_100000702414_100103147603 [0,2,0,0,0,0|1,0,0]=3 7402 B11R0.159 CC/C=C\CSCCC(C)(C)O 62a_100103147603_100000702414 [0,2,0,0,0,0|1,0,0]=3 7403 B11R0.159 CC/C=C\CSCCC(F)(F)F 62a_100011219754_100103147603 [0,2,0,0,0,0|2,0,0]=4 7404 B11R0.159 CC/C=C\CSCCC(F)(F)F 62a_100103147603_100011219754 [0,2,0,0,0,0|2,0,0]=4 7405 B11R0.159 CCNCCCCCC(C)(C)O 2230a_100015525214_100010402123 [0,2,0,0,0,0|1,0,1]=4 7406 B11R0.159 CCOCCCCCC(C)(C)O 34a_100121572206_100010402123 [0,2,0,0,0,0|1,0,1]=4 7407 B11R0.159 CCSCCCCCC(C)(C)O 62a_100000210202_100010402123 [0,2,0,0,0,0|1,0,1]=4 7408 B11R0.159 CCSCCCCCC(C)(C)O 62a_100010402123_100000210202 [0,2,0,0,0,0|1,0,1]=4 7409 B11R0.159 C[Si](C)(C)/C=C/COCCCO 7a_200016270829_100011215043 [0,2,0,0,0,0|1,1,0]=4 7410 B11R0.159 OCCCOCC=CC(F)(F)F 34a_100000001234_100000230001 [0,2,0,0,0,0|2,0,0]=4 7411 B11R0.3 C#CCCCCNC/C=C\CC 2230a_100000706060_100103147603 [0,2,0,0,0,0|1,0,0]=3 7412 B11R0.3 C#CCCCCNC/C=C\CC 34a_100000706060_100103147603 [0,2,0,0,0,0|1,0,0]=3 7413 B11R0.3 C#CCCCCOC/C=C\CC 34a_100000766709_100103147603 [0,2,0,0,0,0|1,0,0]=3 7414 B11R0.3 C#CCCCCOC/C=C\CC 34a_100016268518_100010269958 [0,2,0,0,0,0|1,0,0]=3 7415 B11R0.3 C#CCCCCOC/C=C\CC 7a_100000766709_100103147603 [0,2,0,0,0,0|1,0,0]=3 7416 B11R0.3 C#CCCCCSC/C=C\CC 62a_100010269958_100103147603 [0,2,0,0,0,0|1,0,0]=3 7417 B11R0.3 C#CCCCCSC/C=C\CC 62a_100103147603_100010269958 [0,2,0,0,0,0|1,0,0]=3 7418 B11R0.3 C#CCCCNCC/C=C\CC 34a_100000718082_100015370543 [0,2,0,0,0,0|1,0,0]=3 7419 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,2,0,0,0,0|1,0,1]=4 7420 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,2,0,0,0,0|1,0,1]=4 7421 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,2,0,0,0,0|1,0,1]=4 7422 B11R0.3 C#CCCCOC/C=C/CCC 34a_100016278788_100000695029 [0,2,0,0,0,0|1,0,1]=4 7423 B11R0.3 C#CCCCOC/C=C/CCC 7a_100016278788_100011215417 [0,2,0,0,0,0|1,0,1]=4 7424 B11R0.3 C#CCCCOCC/C=C\CC 34a_100000215630_100015370543 [0,2,0,0,0,0|1,0,0]=3 7425 B11R0.3 C#CCCCOCC/C=C\CC 34a_100016288707_100000695029 [0,2,0,0,0,0|1,0,0]=3 7426 B11R0.3 C#CCCCOCC/C=C\CC 7a_100000215630_100015370543 [0,2,0,0,0,0|1,0,0]=3 7427 B11R0.3 C#CCCCOCC/C=C\CC 7a_100016288707_100011215417 [0,2,0,0,0,0|1,0,0]=3 7428 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,2,0,0,0,0|1,0,1]=4 7429 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,2,0,0,0,0|1,0,1]=4 7430 B11R0.3 C#CCCCSCC/C=C\CC 62a_100011215417_100015370543 [0,2,0,0,0,0|1,0,0]=3 7431 B11R0.3 C#CCCCSCC/C=C\CC 62a_100015370543_100011215417 [0,2,0,0,0,0|1,0,0]=3 7432 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,2,0,0,0,0|1,0,1]=4 7433 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,2,0,0,0,0|1,0,1]=4 7434 B11R0.3 C#CCCNCCCCCCO 2230a_100000686447_100000688953 [0,2,0,0,0,0|1,0,1]=4 7435 B11R0.3 C#CCCNCCCCCCO 34a_100000686447_100000688953 [0,2,0,0,0,0|1,0,1]=4 7436 B11R0.3 C#CCCNCCCCCCO 34a_100000755551_100000766143 [0,2,0,0,0,0|1,0,1]=4 7437 B11R0.3 C#CCCOCCC/C=C/CC 34a_100016287902_100000688953 [0,2,0,0,0,0|1,0,0]=3 7438 B11R0.3 C#CCCOCCC/C=C/CC 7a_100016287902_100000688953 [0,2,0,0,0,0|1,0,0]=3 7439 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,2,0,0,0,0|1,0,1]=4 7440 B11R0.3 C#CCCSCCCCCCO 62a_100000688953_100000766143 [0,2,0,0,0,0|1,0,1]=4 7441 B11R0.3 C#CCCSCCCCCCO 62a_100000766143_100000688953 [0,2,0,0,0,0|1,0,1]=4 7442 B11R0.3 C#CCOCCCC/C=C\CC 34a_100016287862_100000184674 [0,2,0,0,0,0|1,0,0]=3 7443 B11R0.3 C#CCOCCCC/C=C\CC 7a_100016287862_100000038162 [0,2,0,0,0,0|1,0,0]=3 7444 B11R0.3 C#CCOCCNC/C=C\CC 2230a_100000700922_100103147603 [0,2,0,0,0,0|1,0,1]=4 7445 B11R0.3 C#CCOCCNC/C=C\CC 34a_100000700922_100103147603 [0,2,0,0,0,0|1,0,1]=4 7446 B11R0.3 C#CCOCCOC/C=C\CC 34a_100000054580_100103147603 [0,2,0,0,0,0|1,0,1]=4 7447 B11R0.3 C#CCOCCOC/C=C\CC 34a_100016268518_100010402529 [0,2,0,0,0,0|1,0,1]=4 7448 B11R0.3 C#CCOCCOC/C=C\CC 7a_100000054580_100103147603 [0,2,0,0,0,0|1,0,1]=4 7449 B11R0.3 C#CCOCCSC/C=C\CC 62a_100010402529_100103147603 [0,2,0,0,0,0|1,0,1]=4 7450 B11R0.3 C#CCOCCSC/C=C\CC 62a_100103147603_100010402529 [0,2,0,0,0,0|1,0,1]=4 7451 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [0,2,0,0,0,0|1,0,1]=4 7452 B11R0.3 C/C=C/C=C/COCCCCF 34a_100016283227_100000729493 [0,2,0,0,0,0|1,0,1]=4 7453 B11R0.3 C/C=C/C=C/COCCCCO 34a_100016283227_100011216708 [0,2,0,0,0,0|0,0,1]=3 7454 B11R0.3 C/C=C/C=C/COCCCOC 34a_100016283227_100000740836 [0,2,0,0,0,0|0,0,2]=4 7455 B11R0.3 C/C=C/CCOCC/C=C\CC 34a_100016278192_100015370543 [0,2,0,0,0,0|1,0,1]=4 7456 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,2,0,0,0,0|0,0,2]=4 7457 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [0,2,0,0,0,0|0,0,2]=4 7458 B11R0.3 C/C=C/CCOCCOCCO 34a_100016278192_100000692535 [0,2,0,0,0,0|0,0,2]=4 7459 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,2,0,0,0,0|0,0,2]=4 7460 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [0,2,0,0,0,0|0,0,2]=4 7461 B11R0.3 C/C=C/COCCC/C=C/CC 34a_100016287902_100102629194 [0,2,0,0,0,0|1,0,1]=4 7462 B11R0.3 C/C=C/COCCC/C=C/CC 7a_100016287902_100102629194 [0,2,0,0,0,0|1,0,1]=4 7463 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,2,0,0,0,0|0,0,2]=4 7464 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,2,0,0,0,0|0,0,2]=4 7465 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,2,0,0,0,0|0,0,2]=4 7466 B11R0.3 C=CCCCCNC/C=C\CC 2230a_100000703577_100103147603 [0,2,0,0,0,0|1,0,0]=3 7467 B11R0.3 C=CCCCCNC/C=C\CC 34a_100000703577_100103147603 [0,2,0,0,0,0|1,0,0]=3 7468 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,2,0,0,0,0|1,0,0]=3 7469 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,2,0,0,0,0|1,0,0]=3 7470 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,2,0,0,0,0|1,0,0]=3 7471 B11R0.3 C=CCCCCSC/C=C\CC 62a_100011215482_100103147603 [0,2,0,0,0,0|1,0,0]=3 7472 B11R0.3 C=CCCCCSC/C=C\CC 62a_100103147603_100011215482 [0,2,0,0,0,0|1,0,0]=3 7473 B11R0.3 C=CCCCNCC/C=C\CC 2230a_100000700776_100015370543 [0,2,0,0,0,0|1,0,0]=3 7474 B11R0.3 C=CCCCNCC/C=C\CC 34a_100000700776_100015370543 [0,2,0,0,0,0|1,0,0]=3 7475 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,2,0,0,0,0|1,0,1]=4 7476 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,2,0,0,0,0|1,0,1]=4 7477 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,2,0,0,0,0|1,0,1]=4 7478 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,2,0,0,0,0|1,0,1]=4 7479 B11R0.3 C=CCCCOC/C=C/CCC 34a_100016278788_100000757094 [0,2,0,0,0,0|1,0,1]=4 7480 B11R0.3 C=CCCCOC/C=C/CCC 7a_100016278788_100000757094 [0,2,0,0,0,0|1,0,1]=4 7481 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,2,0,0,0,0|1,0,0]=3 7482 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,2,0,0,0,0|1,0,0]=3 7483 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,2,0,0,0,0|1,0,0]=3 7484 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,2,0,0,0,0|1,0,0]=3 7485 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,2,0,0,0,0|1,0,1]=4 7486 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,2,0,0,0,0|1,0,1]=4 7487 B11R0.3 C=CCCCSCC/C=C\CC 62a_100011713584_100015370543 [0,2,0,0,0,0|1,0,0]=3 7488 B11R0.3 C=CCCCSCC/C=C\CC 62a_100015370543_100000757094 [0,2,0,0,0,0|1,0,0]=3 7489 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,2,0,0,0,0|1,0,1]=4 7490 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,2,0,0,0,0|1,0,1]=4 7491 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,2,0,0,0,0|1,0,1]=4 7492 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,2,0,0,0,0|1,0,1]=4 7493 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,2,0,0,0,0|1,0,1]=4 7494 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,2,0,0,0,0|1,0,0]=3 7495 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,2,0,0,0,0|1,0,0]=3 7496 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,2,0,0,0,0|1,0,1]=4 7497 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,2,0,0,0,0|1,0,1]=4 7498 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,2,0,0,0,0|1,0,1]=4 7499 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [0,2,0,0,0,0|1,0,0]=3 7500 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [0,2,0,0,0,0|1,0,0]=3 7501 B11R0.3 C=CCOCCOC/C=C\CC 34a_100000037705_100103147603 [0,2,0,0,0,0|1,0,1]=4 7502 B11R0.3 C=CCOCCOC/C=C\CC 7a_100000037705_100103147603 [0,2,0,0,0,0|1,0,1]=4 7503 B11R0.3 C=COCCCNC/C=C\CC 2230a_100000210767_100103147603 [0,2,0,0,0,0|1,0,0]=3 7504 B11R0.3 C=COCCCNC/C=C\CC 34a_100000210767_100103147603 [0,2,0,0,0,0|1,0,0]=3 7505 B11R0.3 C=COCCOCC/C=C\CC 34a_100000033082_100015370543 [0,2,0,0,0,0|1,0,0]=3 7506 B11R0.3 C=COCCOCC/C=C\CC 34a_100016288707_100000039644 [0,2,0,0,0,0|1,0,0]=3 7507 B11R0.3 C=COCCOCC/C=C\CC 7a_100016288707_100000039644 [0,2,0,0,0,0|1,0,0]=3 7508 B11R0.3 C=COCCSCC/C=C\CC 62a_100000039644_100015370543 [0,2,0,0,0,0|1,0,0]=3 7509 B11R0.3 C=COCCSCC/C=C\CC 62a_100015370543_100000039644 [0,2,0,0,0,0|1,0,0]=3 7510 B11R0.3 CC#CCCOCC/C=C\CC 34a_100000750427_100015370543 [0,2,0,0,0,0|1,0,1]=4 7511 B11R0.3 CC#CCCOCCCCCO 34a_100000750427_100000746330 [0,2,0,0,0,0|1,0,1]=4 7512 B11R0.3 CC#CCNCCCCCCO 2230a_100000685387_100000766143 [0,2,0,0,0,0|1,0,1]=4 7513 B11R0.3 CC#CCNCCCCCCO 2230a_100000686447_100000748600 [0,2,0,0,0,0|1,0,1]=4 7514 B11R0.3 CC#CCNCCCCCCO 34a_100000685387_100000766143 [0,2,0,0,0,0|1,0,1]=4 7515 B11R0.3 CC#CCNCCCCCCO 34a_100000686447_100000748600 [0,2,0,0,0,0|1,0,1]=4 7516 B11R0.3 CC#CCOCCC/C=C/CC 34a_100016287902_100000748600 [0,2,0,0,0,0|1,0,1]=4 7517 B11R0.3 CC#CCOCCC/C=C/CC 7a_100016287902_100000748600 [0,2,0,0,0,0|1,0,1]=4 7518 B11R0.3 CC#CCOCCCCCCO 34a_100000761923_100000766143 [0,2,0,0,0,0|1,0,1]=4 7519 B11R0.3 CC#CCSCCCCCCO 62a_100000748600_100000766143 [0,2,0,0,0,0|1,0,1]=4 7520 B11R0.3 CC#CCSCCCCCCO 62a_100000766143_100000748600 [0,2,0,0,0,0|1,0,1]=4 7521 B11R0.3 CC/C=C/C/C=C/CCOCC 34a_200016273837_100000210202 [0,2,0,0,0,0|0,0,2]=4 7522 B11R0.3 CC/C=C/C/C=C/CCOCC 7a_200016273837_100000210202 [0,2,0,0,0,0|0,0,2]=4 7523 B11R0.3 CC/C=C/C/C=C/CCOCF 34a_200016273837_100015361967 [0,2,0,0,0,0|0,0,2]=4 7524 B11R0.3 CC/C=C/C/C=C/CCOCF 7a_200016273837_100015361967 [0,2,0,0,0,0|0,0,2]=4 7525 B11R0.3 CC/C=C/CC/C=C/COCC 34a_100016264143_100000210202 [0,2,0,0,0,0|0,0,2]=4 7526 B11R0.3 CC/C=C/CC/C=C/COCC 7a_100016264143_100000210202 [0,2,0,0,0,0|0,0,2]=4 7527 B11R0.3 CC/C=C/CC/C=C/COCF 34a_100016264143_100015361967 [0,2,0,0,0,0|0,0,2]=4 7528 B11R0.3 CC/C=C/CC/C=C/COCF 7a_100016264143_100015361967 [0,2,0,0,0,0|0,0,2]=4 7529 B11R0.3 CC/C=C/CCCOCCC#N 7a_100016287902_100000184422 [0,2,0,0,0,0|1,0,0]=3 7530 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,2,0,0,0,0|1,0,0]=3 7531 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,2,0,0,0,0|1,0,0]=3 7532 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [0,2,0,0,0,0|1,0,0]=3 7533 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [0,2,0,0,0,0|1,0,0]=3 7534 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,2,0,0,0,0|0,0,0]=2 7535 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,2,0,0,0,0|0,0,0]=2 7536 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [0,2,0,0,0,0|0,0,0]=2 7537 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [0,2,0,0,0,0|0,0,0]=2 7538 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [0,2,0,0,0,0|0,1,0]=3 7539 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [0,2,0,0,0,0|0,1,0]=3 7540 B11R0.3 CC/C=C\CCC=NNCCC 4a_100000740057_100016279218 [0,2,0,0,0,0|1,0,1]=4 7541 B11R0.3 CC/C=C\CCC=NNCCO 4a_100000210001_100016279218 [0,2,0,0,0,0|0,0,1]=3 7542 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,2,0,0,0,0|1,0,0]=3 7543 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,2,0,0,0,0|0,0,0]=2 7544 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,2,0,0,0,0|0,0,0]=2 7545 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [0,2,0,0,0,0|0,0,0]=2 7546 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [0,2,0,0,0,0|0,0,0]=2 7547 B11R0.3 CC/C=C\CCCCOCC#N 7a_100016287862_100011215382 [0,2,0,0,0,0|1,0,0]=3 7548 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [0,2,0,0,0,0|0,0,1]=3 7549 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [0,2,0,0,0,0|0,0,1]=3 7550 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,2,0,0,0,0|1,0,0]=3 7551 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,2,0,0,0,0|1,0,0]=3 7552 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [0,2,0,0,0,0|1,0,0]=3 7553 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [0,2,0,0,0,0|1,0,0]=3 7554 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,2,0,0,0,0|0,0,0]=2 7555 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,2,0,0,0,0|0,0,0]=2 7556 B11R0.3 CC/C=C\CCCCOCSC 34a_100016287862_100011218213 [0,2,0,0,0,0|0,1,0]=3 7557 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,2,0,0,0,0|1,0,0]=3 7558 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [0,2,0,0,0,0|0,0,0]=2 7559 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [0,2,0,0,0,0|0,0,0]=2 7560 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [0,2,0,0,0,0|0,0,0]=2 7561 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [0,2,0,0,0,0|0,1,0]=3 7562 B11R0.3 CC/C=C\CCNCCOCC 2230a_102516460346_100015370543 [0,2,0,0,0,0|1,0,0]=3 7563 B11R0.3 CC/C=C\CCNCCOCC 34a_102516460346_100015370543 [0,2,0,0,0,0|1,0,0]=3 7564 B11R0.3 CC/C=C\CCNCCSCC 2230a_100000106463_100015370543 [0,2,0,0,0,0|1,0,0]=3 7565 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016268518_100015370543 [0,2,0,0,0,0|1,0,1]=4 7566 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016288707_100103147603 [0,2,0,0,0,0|1,0,1]=4 7567 B11R0.3 CC/C=C\CCOC/C=C\CC 7a_100016288707_100103147603 [0,2,0,0,0,0|1,0,1]=4 7568 B11R0.3 CC/C=C\CCOCC#CCCl 34a_200000047223_100015370543 [0,2,0,0,0,0|1,0,1]=4 7569 B11R0.3 CC/C=C\CCOCC#CCO 34a_100016288707_200000047223 [0,2,0,0,0,0|0,0,1]=3 7570 B11R0.3 CC/C=C\CCOCC#CCO 7a_100016288707_200000047223 [0,2,0,0,0,0|0,0,1]=3 7571 B11R0.3 CC/C=C\CCOCCCC#N 7a_100016288707_100000687738 [0,2,0,0,0,0|1,0,0]=3 7572 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,2,0,0,0,0|0,0,1]=3 7573 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [0,2,0,0,0,0|1,0,0]=3 7574 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,2,0,0,0,0|1,0,0]=3 7575 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,2,0,0,0,0|1,0,0]=3 7576 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,2,0,0,0,0|1,0,0]=3 7577 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,2,0,0,0,0|1,0,0]=3 7578 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [0,2,0,0,0,0|1,0,0]=3 7579 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [0,2,0,0,0,0|1,0,0]=3 7580 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [0,2,0,0,0,0|1,0,0]=3 7581 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [0,2,0,0,0,0|1,0,0]=3 7582 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [0,2,0,0,0,0|1,0,0]=3 7583 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [0,2,0,0,0,0|1,0,0]=3 7584 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [0,2,0,0,0,0|1,0,0]=3 7585 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [0,2,0,0,0,0|1,0,0]=3 7586 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [0,2,0,0,0,0|0,0,0]=2 7587 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [0,2,0,0,0,0|0,0,0]=2 7588 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [0,2,0,0,0,0|1,0,0]=3 7589 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [0,2,0,0,0,0|0,0,0]=2 7590 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [0,2,0,0,0,0|0,0,0]=2 7591 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [0,2,0,0,0,0|0,0,0]=2 7592 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [0,2,0,0,0,0|0,1,0]=3 7593 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [0,2,0,0,0,0|0,1,0]=3 7594 B11R0.3 CC/C=C\CCOCCOCC 34a_100000210136_100015370543 [0,2,0,0,0,0|1,0,0]=3 7595 B11R0.3 CC/C=C\CCOCCOCC 34a_100016288707_100000210147 [0,2,0,0,0,0|1,0,0]=3 7596 B11R0.3 CC/C=C\CCOCCOCC 7a_100000210136_100015370543 [0,2,0,0,0,0|1,0,0]=3 7597 B11R0.3 CC/C=C\CCOCCOCC 7a_100016288707_100011215890 [0,2,0,0,0,0|1,0,0]=3 7598 B11R0.3 CC/C=C\CCOCCSCC 34a_100000212035_100015370543 [0,2,0,0,0,0|1,0,0]=3 7599 B11R0.3 CC/C=C\CCOCCSCC 34a_100016288707_100000757381 [0,2,0,0,0,0|1,0,0]=3 7600 B11R0.3 CC/C=C\CCOCCSCC 7a_100000212035_100015370543 [0,2,0,0,0,0|1,0,0]=3 7601 B11R0.3 CC/C=C\CCOCCSCC 7a_100016288707_100000757381 [0,2,0,0,0,0|1,0,0]=3 7602 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100015370543_100103147603 [0,2,0,0,0,0|1,0,1]=4 7603 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100103147603_100015370543 [0,2,0,0,0,0|1,0,1]=4 7604 B11R0.3 CC/C=C\CCSCC#CCO 62a_100015370543_200000047223 [0,2,0,0,0,0|0,0,1]=3 7605 B11R0.3 CC/C=C\CCSCC#CCO 62a_200000047223_100015370543 [0,2,0,0,0,0|0,0,1]=3 7606 B11R0.3 CC/C=C\CCSCCCC#N 62a_100000687738_100015370543 [0,2,0,0,0,0|1,0,0]=3 7607 B11R0.3 CC/C=C\CCSCCCC#N 62a_100015370543_100000687738 [0,2,0,0,0,0|1,0,0]=3 7608 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [0,2,0,0,0,0|0,0,1]=3 7609 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [0,2,0,0,0,0|0,0,1]=3 7610 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,2,0,0,0,0|1,0,0]=3 7611 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,2,0,0,0,0|1,0,0]=3 7612 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [0,2,0,0,0,0|1,0,0]=3 7613 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [0,2,0,0,0,0|1,0,0]=3 7614 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [0,2,0,0,0,0|0,0,0]=2 7615 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [0,2,0,0,0,0|0,0,0]=2 7616 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [0,2,0,0,0,0|0,0,0]=2 7617 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [0,2,0,0,0,0|0,0,0]=2 7618 B11R0.3 CC/C=C\CCSCCOCC 62a_100000210147_100015370543 [0,2,0,0,0,0|1,0,0]=3 7619 B11R0.3 CC/C=C\CCSCCOCC 62a_100015370543_100011215890 [0,2,0,0,0,0|1,0,0]=3 7620 B11R0.3 CC/C=C\CCSCCSC#N 62a_100000034367_100015370543 [0,2,0,0,0,0|1,0,1]=4 7621 B11R0.3 CC/C=C\CCSCCSC#N 62a_100015370543_100000034367 [0,2,0,0,0,0|1,0,1]=4 7622 B11R0.3 CC/C=C\CCSCCSCC 62a_100000757381_100015370543 [0,2,0,0,0,0|1,0,0]=3 7623 B11R0.3 CC/C=C\CCSCCSCC 62a_100015370543_100000757381 [0,2,0,0,0,0|1,0,0]=3 7624 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,2,0,0,0,0|1,0,0]=3 7625 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,2,0,0,0,0|0,0,0]=2 7626 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,2,0,0,0,0|0,0,0]=2 7627 B11R0.3 CC/C=C\CNCCCN=[N+]=[N-] 2230a_100000744732_100103147603 [0,2,0,0,0,0|2,0,0]=4 7628 B11R0.3 CC/C=C\CNCCCOCC 2230a_100000210961_100103147603 [0,2,0,0,0,0|1,0,0]=3 7629 B11R0.3 CC/C=C\CNCCCOCC 34a_100000210961_100103147603 [0,2,0,0,0,0|1,0,0]=3 7630 B11R0.3 CC/C=C\CNCCOCCC 2230a_100161115042_100103147603 [0,2,0,0,0,0|1,0,0]=3 7631 B11R0.3 CC/C=C\CNCCOCCC 34a_100161115042_100103147603 [0,2,0,0,0,0|1,0,0]=3 7632 B11R0.3 CC/C=C\CNCCOCCO 2230a_100000211614_100103147603 [0,2,0,0,0,0|0,0,0]=2 7633 B11R0.3 CC/C=C\CNCCOCCO 34a_100000211614_100103147603 [0,2,0,0,0,0|0,0,0]=2 7634 B11R0.3 CC/C=C\CNCCSCCC 2230a_100020603323_100103147603 [0,2,0,0,0,0|1,0,0]=3 7635 B11R0.3 CC/C=C\CNCCSCCO 2230a_100011219999_100103147603 [0,2,0,0,0,0|0,0,0]=2 7636 B11R0.3 CC/C=C\COC/C=C/CCC 34a_100016278788_100103147603 [0,2,0,0,0,0|1,0,1]=4 7637 B11R0.3 CC/C=C\COC/C=C/CCC 7a_100016278788_100103147603 [0,2,0,0,0,0|1,0,1]=4 7638 B11R0.3 CC/C=C\COCC#CCCC 34a_100000034806_100103147603 [0,2,0,0,0,0|1,0,1]=4 7639 B11R0.3 CC/C=C\COCC#CCCC 7a_100000034806_100103147603 [0,2,0,0,0,0|1,0,1]=4 7640 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,2,0,0,0,0|1,0,0]=3 7641 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,2,0,0,0,0|1,0,0]=3 7642 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,2,0,0,0,0|1,0,0]=3 7643 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,2,0,0,0,0|1,0,0]=3 7644 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,2,0,0,0,0|1,0,0]=3 7645 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,2,0,0,0,0|1,0,0]=3 7646 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,2,0,0,0,0|1,0,0]=3 7647 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,2,0,0,0,0|1,0,0]=3 7648 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,2,0,0,0,0|1,0,0]=3 7649 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,2,0,0,0,0|1,0,0]=3 7650 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,2,0,0,0,0|1,0,0]=3 7651 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,2,0,0,0,0|0,0,0]=2 7652 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [0,2,0,0,0,0|0,0,0]=2 7653 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [0,2,0,0,0,0|0,0,0]=2 7654 B11R0.3 CC/C=C\COCCCCSC 34a_100011217163_100103147603 [0,2,0,0,0,0|0,1,0]=3 7655 B11R0.3 CC/C=C\COCCCCSC 7a_100011217163_100103147603 [0,2,0,0,0,0|0,1,0]=3 7656 B11R0.3 CC/C=C\COCCCOCC 34a_100000757476_100103147603 [0,2,0,0,0,0|1,0,0]=3 7657 B11R0.3 CC/C=C\COCCCOCC 34a_100016268518_100012232248 [0,2,0,0,0,0|1,0,0]=3 7658 B11R0.3 CC/C=C\COCCCOCC 7a_100000757476_100103147603 [0,2,0,0,0,0|1,0,0]=3 7659 B11R0.3 CC/C=C\COCCCSCC 34a_100011216438_100103147603 [0,2,0,0,0,0|1,0,0]=3 7660 B11R0.3 CC/C=C\COCCCSCC 7a_100011216438_100103147603 [0,2,0,0,0,0|1,0,0]=3 7661 B11R0.3 CC/C=C\COCCOCCBr 34a_100000692535_100103147603 [0,2,0,0,0,0|1,0,0]=3 7662 B11R0.3 CC/C=C\COCCOCCBr 7a_100000692535_100103147603 [0,2,0,0,0,0|1,0,0]=3 7663 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [0,2,0,0,0,0|1,0,0]=3 7664 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [0,2,0,0,0,0|1,0,0]=3 7665 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [0,2,0,0,0,0|1,0,0]=3 7666 B11R0.3 CC/C=C\COCCOCCCl 34a_100011215305_100103147603 [0,2,0,0,0,0|1,0,0]=3 7667 B11R0.3 CC/C=C\COCCOCCCl 7a_100011215305_100103147603 [0,2,0,0,0,0|1,0,0]=3 7668 B11R0.3 CC/C=C\COCCOCCF 34a_200015357709_100103147603 [0,2,0,0,0,0|1,0,0]=3 7669 B11R0.3 CC/C=C\COCCOCCF 7a_200015357709_100103147603 [0,2,0,0,0,0|1,0,0]=3 7670 B11R0.3 CC/C=C\COCCOCCI 34a_100012149058_100103147603 [0,2,0,0,0,0|1,0,0]=3 7671 B11R0.3 CC/C=C\COCCOCCI 7a_100012149058_100103147603 [0,2,0,0,0,0|1,0,0]=3 7672 B11R0.3 CC/C=C\COCCOCCN 34a_100000211614_100103147603 [0,2,0,0,0,0|1,0,0]=3 7673 B11R0.3 CC/C=C\COCCOCCO 34a_100016268518_100000692535 [0,2,0,0,0,0|0,0,0]=2 7674 B11R0.3 CC/C=C\COCCSCCC 34a_200000230433_100103147603 [0,2,0,0,0,0|1,0,0]=3 7675 B11R0.3 CC/C=C\COCCSCCC 7a_200000230433_100103147603 [0,2,0,0,0,0|1,0,0]=3 7676 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [0,2,0,0,0,0|1,0,0]=3 7677 B11R0.3 CC/C=C\CSCCCCC#N 62a_100011219923_100103147603 [0,2,0,0,0,0|1,0,0]=3 7678 B11R0.3 CC/C=C\CSCCCCC#N 62a_100103147603_100000211819 [0,2,0,0,0,0|1,0,0]=3 7679 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [0,2,0,0,0,0|0,0,1]=3 7680 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [0,2,0,0,0,0|0,0,1]=3 7681 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,2,0,0,0,0|1,0,0]=3 7682 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,2,0,0,0,0|1,0,0]=3 7683 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,2,0,0,0,0|1,0,0]=3 7684 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,2,0,0,0,0|1,0,0]=3 7685 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,2,0,0,0,0|0,0,0]=2 7686 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,2,0,0,0,0|0,0,0]=2 7687 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [0,2,0,0,0,0|0,0,0]=2 7688 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [0,2,0,0,0,0|0,0,0]=2 7689 B11R0.3 CC/C=C\CSCCCOCC 62a_100012232248_100103147603 [0,2,0,0,0,0|1,0,0]=3 7690 B11R0.3 CC/C=C\CSCCCOCC 62a_100103147603_100012232248 [0,2,0,0,0,0|1,0,0]=3 7691 B11R0.3 CC/C=C\CSCCOCC#N 62a_100103147603_200000047693 [0,2,0,0,0,0|1,0,1]=4 7692 B11R0.3 CC/C=C\CSCCOCC#N 62a_200000047693_100103147603 [0,2,0,0,0,0|1,0,1]=4 7693 B11R0.3 CC/C=C\CSCCOCCC 62a_100011215938_100103147603 [0,2,0,0,0,0|1,0,0]=3 7694 B11R0.3 CC/C=C\CSCCOCCC 62a_100103147603_100011215938 [0,2,0,0,0,0|1,0,0]=3 7695 B11R0.3 CC/C=C\CSCCOCCO 62a_100011215305_100103147603 [0,2,0,0,0,0|0,0,0]=2 7696 B11R0.3 CC/C=C\CSCCOCCO 62a_100103147603_100011215305 [0,2,0,0,0,0|0,0,0]=2 7697 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [0,2,0,0,0,0|1,0,0]=3 7698 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [0,2,0,0,0,0|1,0,0]=3 7699 B11R0.3 CC/C=C\CSCOCCOC 62a_100000231047_100103147603 [0,2,0,0,0,0|1,0,0]=3 7700 B11R0.3 CC/C=C\CSCOCCOC 62a_100103147603_100000231047 [0,2,0,0,0,0|1,0,0]=3 7701 B11R0.3 CC=C=CCCOCCCCO 34a_100011020354_100011216708 [0,2,0,0,0,0|0,0,2]=4 7702 B11R0.3 CC=C=CCCOCCCOC 34a_100011020354_100000740836 [0,2,0,0,0,0|0,0,2]=4 7703 B11R0.3 CC=CCCCOC/C=C\CC 34a_100020645299_100103147603 [0,2,0,0,0,0|1,0,1]=4 7704 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,2,0,0,0,0|0,0,2]=4 7705 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [0,2,0,0,0,0|0,0,2]=4 7706 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,2,0,0,0,0|0,0,2]=4 7707 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,2,0,0,0,0|0,0,2]=4 7708 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [0,2,0,0,0,0|0,0,2]=4 7709 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [0,2,0,0,0,0|0,0,2]=4 7710 B11R0.3 CC=CCOCCC/C=C/CC 34a_100016287902_100000070051 [0,2,0,0,0,0|1,0,1]=4 7711 B11R0.3 CC=CCOCCC/C=C/CC 7a_100016287902_100000070051 [0,2,0,0,0,0|1,0,1]=4 7712 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,2,0,0,0,0|0,0,2]=4 7713 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,2,0,0,0,0|0,0,2]=4 7714 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,2,0,0,0,0|0,0,2]=4 7715 B11R0.3 CCC#CCCOC/C=C\CC 34a_100000036655_100103147603 [0,2,0,0,0,0|1,0,1]=4 7716 B11R0.3 CCC#CCCOC/C=C\CC 7a_100000036655_100103147603 [0,2,0,0,0,0|1,0,1]=4 7717 B11R0.3 CCC#CCCOCCCCO 34a_100000036655_100011216708 [0,2,0,0,0,0|0,0,2]=4 7718 B11R0.3 CCC#CCCOCCCCO 7a_100000036655_100000210776 [0,2,0,0,0,0|0,0,2]=4 7719 B11R0.3 CCC#CCCOCCCOC 34a_100000036655_100000740836 [0,2,0,0,0,0|0,0,2]=4 7720 B11R0.3 CCC#CCCOCCCOC 7a_100000036655_100000740836 [0,2,0,0,0,0|0,0,2]=4 7721 B11R0.3 CCC#CCNCCCCCO 2230a_100000762737_100009813939 [0,2,0,0,0,0|0,0,2]=4 7722 B11R0.3 CCC#CCNCCCCCO 34a_100000762737_100009813939 [0,2,0,0,0,0|0,0,2]=4 7723 B11R0.3 CCC#CCNCCOCCO 2230a_100000211614_100009813939 [0,2,0,0,0,0|0,0,2]=4 7724 B11R0.3 CCC#CCNCCOCCO 34a_100000211614_100009813939 [0,2,0,0,0,0|0,0,2]=4 7725 B11R0.3 CCC#CCNCCSCCO 2230a_100011219999_100009813939 [0,2,0,0,0,0|0,0,2]=4 7726 B11R0.3 CCC#CCOCC/C=C\CC 34a_100000032950_100015370543 [0,2,0,0,0,0|1,0,1]=4 7727 B11R0.3 CCC#CCOCC/C=C\CC 34a_100016288707_100009813939 [0,2,0,0,0,0|1,0,1]=4 7728 B11R0.3 CCC#CCOCC/C=C\CC 7a_100016288707_100009813939 [0,2,0,0,0,0|1,0,1]=4 7729 B11R0.3 CCC#CCOCCCCCO 34a_100000032950_100000746330 [0,2,0,0,0,0|0,0,2]=4 7730 B11R0.3 CCC#CCOCCCCOC 34a_100000032950_100000755781 [0,2,0,0,0,0|0,0,2]=4 7731 B11R0.3 CCC#CCOCCCCOC 34a_100000740925_100009813939 [0,2,0,0,0,0|0,0,2]=4 7732 B11R0.3 CCC#CCOCCOCCO 34a_100000032950_100000692535 [0,2,0,0,0,0|0,0,2]=4 7733 B11R0.3 CCC#CCSCC/C=C\CC 62a_100009813939_100015370543 [0,2,0,0,0,0|1,0,1]=4 7734 B11R0.3 CCC#CCSCC/C=C\CC 62a_100015370543_100009813939 [0,2,0,0,0,0|1,0,1]=4 7735 B11R0.3 CCC#CCSCCCCCO 62a_100000746330_100009813939 [0,2,0,0,0,0|0,0,2]=4 7736 B11R0.3 CCC#CCSCCCCCO 62a_100009813939_100000746330 [0,2,0,0,0,0|0,0,2]=4 7737 B11R0.3 CCC#CCSCCCCOC 62a_100000730899_100009813939 [0,2,0,0,0,0|0,0,2]=4 7738 B11R0.3 CCC#CCSCCCCOC 62a_100009813939_100000730899 [0,2,0,0,0,0|0,0,2]=4 7739 B11R0.3 CCC#CCSCCOCCO 62a_100009813939_100011215305 [0,2,0,0,0,0|0,0,2]=4 7740 B11R0.3 CCC#CCSCCOCCO 62a_100011215305_100009813939 [0,2,0,0,0,0|0,0,2]=4 7741 B11R0.3 CCC/C=C/C=C/COCCO 34a_100016294078_100000211926 [0,2,0,0,0,0|0,0,2]=4 7742 B11R0.3 CCC/C=C/COCC#CCO 34a_100016278788_200000047223 [0,2,0,0,0,0|0,0,2]=4 7743 B11R0.3 CCC/C=C/COCC#CCO 7a_100016278788_200000047223 [0,2,0,0,0,0|0,0,2]=4 7744 B11R0.3 CCC/C=C/COCCCC#N 7a_100016278788_100000687738 [0,2,0,0,0,0|1,0,1]=4 7745 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,2,0,0,0,0|0,0,2]=4 7746 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,2,0,0,0,0|1,0,0]=3 7747 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,2,0,0,0,0|1,0,0]=3 7748 B11R0.3 CCC/C=C/COCCCCF 34a_100016278788_100000729493 [0,2,0,0,0,0|1,0,0]=3 7749 B11R0.3 CCC/C=C/COCCCCF 7a_100016278788_100000729493 [0,2,0,0,0,0|1,0,0]=3 7750 B11R0.3 CCC/C=C/COCCCCO 34a_100016278788_100011216708 [0,2,0,0,0,0|0,0,0]=2 7751 B11R0.3 CCC/C=C/COCCCCO 7a_100016278788_100000210776 [0,2,0,0,0,0|0,0,0]=2 7752 B11R0.3 CCC/C=C/COCCCOC 34a_100016278788_100000740836 [0,2,0,0,0,0|1,0,0]=3 7753 B11R0.3 CCC/C=C/COCCCOC 7a_100016278788_100000740836 [0,2,0,0,0,0|1,0,0]=3 7754 B11R0.3 CCC/C=C/COCCOCC 34a_100016278788_100000210147 [0,2,0,0,0,0|2,0,0]=4 7755 B11R0.3 CCC/C=C/COCCOCC 7a_100016278788_100011215890 [0,2,0,0,0,0|2,0,0]=4 7756 B11R0.3 CCC/C=C/COCCSCC 34a_100016278788_100000757381 [0,2,0,0,0,0|2,0,0]=4 7757 B11R0.3 CCC/C=C/COCCSCC 7a_100016278788_100000757381 [0,2,0,0,0,0|2,0,0]=4 7758 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [0,2,0,0,0,0|1,0,1]=4 7759 B11R0.3 CCCC#CCCOCCCO 34a_100000042726_100000230001 [0,2,0,0,0,0|0,0,2]=4 7760 B11R0.3 CCCC#CCCOCCCO 7a_100000042726_100011215043 [0,2,0,0,0,0|0,0,2]=4 7761 B11R0.3 CCCC#CCOCCCCO 34a_100000034806_100011216708 [0,2,0,0,0,0|0,0,2]=4 7762 B11R0.3 CCCC#CCOCCCCO 7a_100000034806_100000210776 [0,2,0,0,0,0|0,0,2]=4 7763 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,2,0,0,0,0|0,0,2]=4 7764 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,2,0,0,0,0|0,0,2]=4 7765 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,2,0,0,0,0|0,0,2]=4 7766 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,2,0,0,0,0|0,0,2]=4 7767 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [0,2,0,0,0,0|2,0,0]=4 7768 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [0,2,0,0,0,0|2,0,0]=4 7769 B11R0.3 CCCC/C=C/COCCCF 34a_200016272032_100011934791 [0,2,0,0,0,0|2,0,0]=4 7770 B11R0.3 CCCC/C=C/COCCCF 7a_200016272032_100011934791 [0,2,0,0,0,0|2,0,0]=4 7771 B11R0.3 CCCC/C=C/COCCCO 34a_200016272032_100000230001 [0,2,0,0,0,0|1,0,0]=3 7772 B11R0.3 CCCC/C=C/COCCCO 7a_200016272032_100011215043 [0,2,0,0,0,0|1,0,0]=3 7773 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [0,2,0,0,0,0|2,0,0]=4 7774 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [0,2,0,0,0,0|2,0,0]=4 7775 B11R0.3 CCCC/C=C\CCOCCF 34a_200016286491_100011217306 [0,2,0,0,0,0|2,0,0]=4 7776 B11R0.3 CCCC/C=C\CCOCCF 7a_200016286491_100011217306 [0,2,0,0,0,0|2,0,0]=4 7777 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [0,2,0,0,0,0|1,0,0]=3 7778 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [0,2,0,0,0,0|1,0,0]=3 7779 B11R0.3 CCCCC/C=C/C=C/COC 34a_200014065772_200000210301 [0,2,0,0,0,0|1,0,1]=4 7780 B11R0.3 CCCCC/C=C/C=C/COC 7a_200014065772_200000210301 [0,2,0,0,0,0|1,0,1]=4 7781 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 34a_200014065772_200025704644 [0,2,0,0,0,0|1,0,1]=4 7782 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 7a_200014065772_200025704644 [0,2,0,0,0,0|1,0,1]=4 7783 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,2,0,0,0,0|1,0,0]=3 7784 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,2,0,0,0,0|1,0,0]=3 7785 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [0,2,0,0,0,0|1,0,0]=3 7786 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [0,2,0,0,0,0|1,0,0]=3 7787 B11R0.3 CCCCCC=CC=NNCC 4a_100000756455_100016268540 [0,2,0,0,0,0|1,0,1]=4 7788 B11R0.3 CCCCCCC=NNCCC 4a_100000740057_100000234349 [0,2,0,0,0,0|1,0,1]=4 7789 B11R0.3 CCCCCCC=NNCCO 4a_100000210001_100000234349 [0,2,0,0,0,0|2,0,0]=4 7790 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [0,2,0,0,0,0|1,0,1]=4 7791 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,2,0,0,0,0|0,0,2]=4 7792 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,2,0,0,0,0|0,0,2]=4 7793 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,2,0,0,0,0|0,0,2]=4 7794 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,2,0,0,0,0|0,0,2]=4 7795 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,2,0,0,0,0|0,0,2]=4 7796 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,2,0,0,0,0|0,0,2]=4 7797 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,2,0,0,0,0|0,0,2]=4 7798 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,2,0,0,0,0|0,0,2]=4 7799 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,2,0,0,0,0|0,0,2]=4 7800 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,2,0,0,0,0|0,0,2]=4 7801 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,2,0,0,0,0|0,0,2]=4 7802 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,2,0,0,0,0|0,0,2]=4 7803 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,2,0,0,0,0|0,0,2]=4 7804 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,2,0,0,0,0|0,0,2]=4 7805 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,2,0,0,0,0|0,0,2]=4 7806 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,2,0,0,0,0|0,0,2]=4 7807 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,2,0,0,0,0|0,0,2]=4 7808 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,2,0,0,0,0|0,0,2]=4 7809 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,2,0,0,0,0|0,0,2]=4 7810 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,2,0,0,0,0|0,0,2]=4 7811 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,2,0,0,0,0|0,0,2]=4 7812 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,2,0,0,0,0|0,0,2]=4 7813 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,2,0,0,0,0|0,0,2]=4 7814 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,2,0,0,0,0|0,0,2]=4 7815 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,2,0,0,0,0|0,0,2]=4 7816 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,2,0,0,0,0|0,0,2]=4 7817 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,2,0,0,0,0|0,0,2]=4 7818 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,2,0,0,0,0|0,0,2]=4 7819 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,2,0,0,0,0|0,0,2]=4 7820 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,2,0,0,0,0|0,0,2]=4 7821 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,2,0,0,0,0|0,0,2]=4 7822 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,2,0,0,0,0|0,0,2]=4 7823 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,2,0,0,0,0|0,0,2]=4 7824 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,2,0,0,0,0|0,0,2]=4 7825 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,2,0,0,0,0|0,0,2]=4 7826 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,2,0,0,0,0|0,0,2]=4 7827 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,2,0,0,0,0|0,0,2]=4 7828 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,2,0,0,0,0|0,0,2]=4 7829 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,2,0,0,0,0|0,0,2]=4 7830 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,2,0,0,0,0|0,0,2]=4 7831 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,2,0,0,0,0|0,0,2]=4 7832 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,2,0,0,0,0|0,0,2]=4 7833 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,2,0,0,0,0|0,0,2]=4 7834 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,2,0,0,0,0|0,0,2]=4 7835 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,2,0,0,0,0|0,0,2]=4 7836 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,2,0,0,0,0|0,0,2]=4 7837 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,2,0,0,0,0|0,0,2]=4 7838 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,2,0,0,0,0|0,0,2]=4 7839 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,2,0,0,0,0|0,0,2]=4 7840 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,2,0,0,0,0|0,0,2]=4 7841 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,2,0,0,0,0|0,0,2]=4 7842 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,2,0,0,0,0|0,0,2]=4 7843 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,2,0,0,0,0|0,0,2]=4 7844 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,2,0,0,0,0|0,0,2]=4 7845 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,2,0,0,0,0|0,0,2]=4 7846 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,2,0,0,0,0|0,0,2]=4 7847 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,2,0,0,0,0|0,0,2]=4 7848 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,2,0,0,0,0|0,0,2]=4 7849 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,2,0,0,0,0|0,0,2]=4 7850 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,2,0,0,0,0|0,0,2]=4 7851 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,2,0,0,0,0|0,0,2]=4 7852 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,2,0,0,0,0|0,0,2]=4 7853 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,2,0,0,0,0|0,0,2]=4 7854 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,2,0,0,0,0|0,0,2]=4 7855 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,2,0,0,0,0|0,0,2]=4 7856 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,2,0,0,0,0|0,0,2]=4 7857 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,2,0,0,0,0|0,0,2]=4 7858 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,2,0,0,0,0|0,0,2]=4 7859 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,2,0,0,0,0|0,0,2]=4 7860 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,2,0,0,0,0|0,0,2]=4 7861 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,2,0,0,0,0|0,0,2]=4 7862 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,2,0,0,0,0|0,0,2]=4 7863 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,2,0,0,0,0|0,0,2]=4 7864 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,2,0,0,0,0|0,0,2]=4 7865 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,2,0,0,0,0|0,0,2]=4 7866 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,2,0,0,0,0|0,0,2]=4 7867 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,2,0,0,0,0|0,0,2]=4 7868 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,2,0,0,0,0|0,0,2]=4 7869 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,2,0,0,0,0|0,0,2]=4 7870 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,2,0,0,0,0|0,0,2]=4 7871 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,2,0,0,0,0|0,0,2]=4 7872 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,2,0,0,0,0|0,0,2]=4 7873 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,2,0,0,0,0|0,0,2]=4 7874 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,2,0,0,0,0|0,0,2]=4 7875 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,2,0,0,0,0|0,0,2]=4 7876 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,2,0,0,0,0|0,0,2]=4 7877 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,2,0,0,0,0|0,0,2]=4 7878 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,2,0,0,0,0|0,0,2]=4 7879 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,2,0,0,0,0|0,0,2]=4 7880 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,2,0,0,0,0|0,0,2]=4 7881 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,2,0,0,0,0|0,0,2]=4 7882 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,2,0,0,0,0|0,0,2]=4 7883 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,2,0,0,0,0|0,0,2]=4 7884 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,2,0,0,0,0|0,0,2]=4 7885 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,2,0,0,0,0|0,0,2]=4 7886 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,2,0,0,0,0|0,0,2]=4 7887 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,2,0,0,0,0|0,0,2]=4 7888 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,2,0,0,0,0|0,0,2]=4 7889 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,2,0,0,0,0|0,0,2]=4 7890 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,2,0,0,0,0|0,0,2]=4 7891 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,2,0,0,0,0|0,0,2]=4 7892 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,2,0,0,0,0|1,0,1]=4 7893 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,2,0,0,0,0|1,0,1]=4 7894 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,2,0,0,0,0|0,0,2]=4 7895 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,2,0,0,0,0|0,0,2]=4 7896 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,2,0,0,0,0|0,0,2]=4 7897 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,2,0,0,0,0|0,0,2]=4 7898 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,2,0,0,0,0|0,0,2]=4 7899 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,2,0,0,0,0|0,0,2]=4 7900 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,2,0,0,0,0|1,0,1]=4 7901 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,2,0,0,0,0|1,0,1]=4 7902 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,2,0,0,0,0|1,0,1]=4 7903 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,2,0,0,0,0|0,0,2]=4 7904 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,2,0,0,0,0|0,0,2]=4 7905 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,2,0,0,0,0|0,0,2]=4 7906 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,2,0,0,0,0|0,0,2]=4 7907 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,2,0,0,0,0|1,0,1]=4 7908 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,2,0,0,0,0|1,0,1]=4 7909 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,2,0,0,0,0|1,0,1]=4 7910 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,2,0,0,0,0|0,0,2]=4 7911 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,2,0,0,0,0|0,0,2]=4 7912 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,2,0,0,0,0|1,0,1]=4 7913 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,2,0,0,0,0|1,0,1]=4 7914 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,2,0,0,0,0|1,0,1]=4 7915 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,2,0,0,0,0|0,0,2]=4 7916 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,2,0,0,0,0|0,0,2]=4 7917 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,2,0,0,0,0|1,0,1]=4 7918 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,2,0,0,0,0|1,0,1]=4 7919 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,2,0,0,0,0|0,0,2]=4 7920 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,2,0,0,0,0|0,0,2]=4 7921 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,2,0,0,0,0|0,0,2]=4 7922 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,2,0,0,0,0|0,0,2]=4 7923 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,2,0,0,0,0|1,0,1]=4 7924 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,2,0,0,0,0|1,0,1]=4 7925 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,2,0,0,0,0|0,0,2]=4 7926 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,2,0,0,0,0|1,0,1]=4 7927 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,2,0,0,0,0|0,0,2]=4 7928 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,2,0,0,0,0|0,0,2]=4 7929 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,2,0,0,0,0|1,0,1]=4 7930 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,2,0,0,0,0|1,0,1]=4 7931 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,2,0,0,0,0|0,0,2]=4 7932 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,2,0,0,0,0|0,0,2]=4 7933 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,2,0,0,0,0|0,0,2]=4 7934 B11R0.3 CCNCCOCCOCCO 2230a_100011998139_100000210202 [0,2,0,0,0,0|1,0,1]=4 7935 B11R0.3 CCNCCOCCOCCO 2230a_100015525214_100000032323 [0,2,0,0,0,0|1,0,1]=4 7936 B11R0.3 CCNCCOCCOCCO 34a_100011998139_100000210202 [0,2,0,0,0,0|1,0,1]=4 7937 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,2,0,0,0,0|0,0,2]=4 7938 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,2,0,0,0,0|0,0,2]=4 7939 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,2,0,0,0,0|0,0,2]=4 7940 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,2,0,0,0,0|0,0,2]=4 7941 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,2,0,0,0,0|0,0,2]=4 7942 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,2,0,0,0,0|1,0,1]=4 7943 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,2,0,0,0,0|1,0,1]=4 7944 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,2,0,0,0,0|1,0,1]=4 7945 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,2,0,0,0,0|0,0,2]=4 7946 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,2,0,0,0,0|0,0,2]=4 7947 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,2,0,0,0,0|1,0,1]=4 7948 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,2,0,0,0,0|1,0,1]=4 7949 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,2,0,0,0,0|1,0,1]=4 7950 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,2,0,0,0,0|1,0,1]=4 7951 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,2,0,0,0,0|1,0,1]=4 7952 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,2,0,0,0,0|0,0,2]=4 7953 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,2,0,0,0,0|0,0,2]=4 7954 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,2,0,0,0,0|1,0,1]=4 7955 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,2,0,0,0,0|1,0,1]=4 7956 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,2,0,0,0,0|0,0,2]=4 7957 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,2,0,0,0,0|0,0,2]=4 7958 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,2,0,0,0,0|0,0,2]=4 7959 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,2,0,0,0,0|0,0,2]=4 7960 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [0,2,0,0,0,0|1,0,1]=4 7961 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [0,2,0,0,0,0|1,0,1]=4 7962 B11R0.3 CCOCCNCCOCCO 2230a_100000211614_100011215890 [0,2,0,0,0,0|1,0,1]=4 7963 B11R0.3 CCOCCNCCOCCO 2230a_102516460346_100011215305 [0,2,0,0,0,0|1,0,1]=4 7964 B11R0.3 CCOCCNCCOCCO 34a_100000211614_100000210147 [0,2,0,0,0,0|1,0,1]=4 7965 B11R0.3 CCOCCNCCOCCO 34a_102516460346_100000692535 [0,2,0,0,0,0|1,0,1]=4 7966 B11R0.3 CCOCCNCCSCCO 2230a_100011219999_100011215890 [0,2,0,0,0,0|1,0,1]=4 7967 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,2,0,0,0,0|0,0,2]=4 7968 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,2,0,0,0,0|0,0,2]=4 7969 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [0,2,0,0,0,0|1,0,1]=4 7970 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [0,2,0,0,0,0|1,0,1]=4 7971 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [0,2,0,0,0,0|1,0,1]=4 7972 B11R0.3 CCOCCOCCNCCO 2230a_100016997473_100011211534 [0,2,0,0,0,0|1,0,1]=4 7973 B11R0.3 CCOCCOCCNCCO 2230a_100102712874_100000211926 [0,2,0,0,0,0|1,0,1]=4 7974 B11R0.3 CCOCCOCCNCCO 34a_100016990907_100011211534 [0,2,0,0,0,0|1,0,1]=4 7975 B11R0.3 CCOCCOCCNCCO 34a_100102712874_100000211926 [0,2,0,0,0,0|1,0,1]=4 7976 B11R0.3 CCOCCOCCOCCO 34a_100000210136_100000692535 [0,2,0,0,0,0|1,0,1]=4 7977 B11R0.3 CCOCCOCCOCCO 34a_100000210240_100000211926 [0,2,0,0,0,0|1,0,1]=4 7978 B11R0.3 CCOCCOCCOCCO 34a_100121572206_100000032323 [0,2,0,0,0,0|1,0,1]=4 7979 B11R0.3 CCOCCOCCOCCO 7a_100000210136_100011215305 [0,2,0,0,0,0|1,0,1]=4 7980 B11R0.3 CCOCCOCCOCCO 7a_100000210240_100000211926 [0,2,0,0,0,0|1,0,1]=4 7981 B11R0.3 CCOCCOCCSCCO 62a_100000211926_100011211534 [0,2,0,0,0,0|1,0,1]=4 7982 B11R0.3 CCOCCOCCSCCO 62a_100011211534_100000211926 [0,2,0,0,0,0|1,0,1]=4 7983 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,2,0,0,0,0|0,0,2]=4 7984 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,2,0,0,0,0|0,0,2]=4 7985 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [0,2,0,0,0,0|1,0,1]=4 7986 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [0,2,0,0,0,0|1,0,1]=4 7987 B11R0.3 CCOCCSCCOCCO 62a_100000210147_100011215305 [0,2,0,0,0,0|1,0,1]=4 7988 B11R0.3 CCOCCSCCOCCO 62a_100011215305_100011215890 [0,2,0,0,0,0|1,0,1]=4 7989 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,2,0,0,0,0|0,0,2]=4 7990 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,2,0,0,0,0|0,0,2]=4 7991 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,2,0,0,0,0|0,0,2]=4 7992 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,2,0,0,0,0|0,0,2]=4 7993 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,2,0,0,0,0|0,0,2]=4 7994 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,2,0,0,0,0|0,0,2]=4 7995 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,2,0,0,0,0|1,0,1]=4 7996 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,2,0,0,0,0|1,0,1]=4 7997 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,2,0,0,0,0|0,0,2]=4 7998 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,2,0,0,0,0|0,0,2]=4 7999 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,2,0,0,0,0|0,0,2]=4 8000 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [0,2,0,0,0,0|1,0,1]=4 8001 B11R0.3 CCSCCNCCOCCO 2230a_100000106463_100011215305 [0,2,0,0,0,0|1,0,1]=4 8002 B11R0.3 CCSCCNCCOCCO 2230a_100000211614_100000757381 [0,2,0,0,0,0|1,0,1]=4 8003 B11R0.3 CCSCCNCCOCCO 34a_100000211614_100000757381 [0,2,0,0,0,0|1,0,1]=4 8004 B11R0.3 CCSCCNCCSCCO 2230a_100011219999_100000757381 [0,2,0,0,0,0|1,0,1]=4 8005 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,2,0,0,0,0|0,0,2]=4 8006 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,2,0,0,0,0|0,0,2]=4 8007 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [0,2,0,0,0,0|1,0,1]=4 8008 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [0,2,0,0,0,0|1,0,1]=4 8009 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [0,2,0,0,0,0|1,0,1]=4 8010 B11R0.3 CCSCCOCCOCCO 34a_100000212035_100000692535 [0,2,0,0,0,0|1,0,1]=4 8011 B11R0.3 CCSCCOCCOCCO 62a_100000032323_100000210202 [0,2,0,0,0,0|1,0,1]=4 8012 B11R0.3 CCSCCOCCOCCO 62a_100000210202_100000032323 [0,2,0,0,0,0|1,0,1]=4 8013 B11R0.3 CCSCCOCCOCCO 7a_100000212035_100011215305 [0,2,0,0,0,0|1,0,1]=4 8014 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,2,0,0,0,0|0,0,2]=4 8015 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,2,0,0,0,0|0,0,2]=4 8016 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [0,2,0,0,0,0|1,0,1]=4 8017 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [0,2,0,0,0,0|1,0,1]=4 8018 B11R0.3 CCSCCSCCOCCO 62a_100000757381_100011215305 [0,2,0,0,0,0|1,0,1]=4 8019 B11R0.3 CCSCCSCCOCCO 62a_100011215305_100000757381 [0,2,0,0,0,0|1,0,1]=4 8020 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 8021 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,2,0,0,0,0|0,0,2]=4 8022 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 8023 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,2,0,0,0,0|0,0,2]=4 8024 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,2,0,0,0,0|0,0,2]=4 8025 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,2,0,0,0,0|0,0,2]=4 8026 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,2,0,0,0,0|0,0,2]=4 8027 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,2,0,0,0,0|1,0,1]=4 8028 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 8029 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 8030 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,2,0,0,0,0|0,0,2]=4 8031 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,2,0,0,0,0|0,0,2]=4 8032 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 8033 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,2,0,0,0,0|0,0,2]=4 8034 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,2,0,0,0,0|1,0,1]=4 8035 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,2,0,0,0,0|0,0,2]=4 8036 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,2,0,0,0,0|0,0,2]=4 8037 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,2,0,0,0,0|1,0,1]=4 8038 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,2,0,0,0,0|1,0,1]=4 8039 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,2,0,0,0,0|1,0,1]=4 8040 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,2,0,0,0,0|1,0,1]=4 8041 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,2,0,0,0,0|0,0,2]=4 8042 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,2,0,0,0,0|0,0,2]=4 8043 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,2,0,0,0,0|1,0,1]=4 8044 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,2,0,0,0,0|1,0,1]=4 8045 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,2,0,0,0,0|1,0,1]=4 8046 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,2,0,0,0,0|0,0,2]=4 8047 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,2,0,0,0,0|0,0,2]=4 8048 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,2,0,0,0,0|1,0,1]=4 8049 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,2,0,0,0,0|1,0,1]=4 8050 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,2,0,0,0,0|1,0,1]=4 8051 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,2,0,0,0,0|1,0,1]=4 8052 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,2,0,0,0,0|1,0,1]=4 8053 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,2,0,0,0,0|1,0,1]=4 8054 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,2,0,0,0,0|0,0,2]=4 8055 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,2,0,0,0,0|0,0,2]=4 8056 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,2,0,0,0,0|1,0,1]=4 8057 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,2,0,0,0,0|1,0,1]=4 8058 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,2,0,0,0,0|1,0,1]=4 8059 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,2,0,0,0,0|1,0,1]=4 8060 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,2,0,0,0,0|0,0,2]=4 8061 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,2,0,0,0,0|0,0,2]=4 8062 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,2,0,0,0,0|0,0,2]=4 8063 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,2,0,0,0,0|0,0,2]=4 8064 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,2,0,0,0,0|0,0,2]=4 8065 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,2,0,0,0,0|0,0,2]=4 8066 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,2,0,0,0,0|0,0,2]=4 8067 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,2,0,0,0,0|0,0,2]=4 8068 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,2,0,0,0,0|0,0,2]=4 8069 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,2,0,0,0,0|0,0,2]=4 8070 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,2,0,0,0,0|0,0,2]=4 8071 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,2,0,0,0,0|0,0,2]=4 8072 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,2,0,0,0,0|0,0,2]=4 8073 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,2,0,0,0,0|0,0,2]=4 8074 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,2,0,0,0,0|0,0,2]=4 8075 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,2,0,0,0,0|1,0,1]=4 8076 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,2,0,0,0,0|1,0,1]=4 8077 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,2,0,0,0,0|1,0,1]=4 8078 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,2,0,0,0,0|1,0,1]=4 8079 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,2,0,0,0,0|1,0,1]=4 8080 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,2,0,0,0,0|1,0,1]=4 8081 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,2,0,0,0,0|1,0,1]=4 8082 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,2,0,0,0,0|1,0,1]=4 8083 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,2,0,0,0,0|1,0,1]=4 8084 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,2,0,0,0,0|1,0,1]=4 8085 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,2,0,0,0,0|1,0,1]=4 8086 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,2,0,0,0,0|1,0,1]=4 8087 B11R0.3 COCCOCNCCCCO 2230a_100000750430_100000231047 [0,2,0,0,0,0|1,0,1]=4 8088 B11R0.3 COCCOCSCCCCO 62a_100000210776_100000231047 [0,2,0,0,0,0|1,0,1]=4 8089 B11R0.3 COCCOCSCCCCO 62a_100000231047_100000210776 [0,2,0,0,0,0|1,0,1]=4 8090 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,2,0,0,0,0|0,0,2]=4 8091 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,2,0,0,0,0|0,0,2]=4 8092 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,2,0,0,0,0|0,0,2]=4 8093 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,2,0,0,0,0|1,0,1]=4 8094 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,2,0,0,0,0|0,0,2]=4 8095 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,2,0,0,0,0|0,0,2]=4 8096 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 8097 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,2,0,0,0,0|0,0,2]=4 8098 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,2,0,0,0,0|0,0,2]=4 8099 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,2,0,0,0,0|0,0,2]=4 8100 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,2,0,0,0,0|0,0,2]=4 8101 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,2,0,0,0,0|0,0,2]=4 8102 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,2,0,0,0,0|0,0,2]=4 8103 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,2,0,0,0,0|0,0,2]=4 8104 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,2,0,0,0,0|0,0,2]=4 8105 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,2,0,0,0,0|0,0,2]=4 8106 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,2,0,0,0,0|0,0,2]=4 8107 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,2,0,0,0,0|0,0,2]=4 8108 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,2,0,0,0,0|0,0,2]=4 8109 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,2,0,0,0,0|0,0,2]=4 8110 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,2,0,0,0,0|0,0,2]=4 8111 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,2,0,0,0,0|0,0,2]=4 8112 B11R0.3 CSCNCCCOCCCO 2230a_100011310245_100011218213 [0,2,0,0,0,0|1,0,1]=4 8113 B11R0.3 CSCNCCCOCCCO 34a_100011310245_100011218213 [0,2,0,0,0,0|1,0,1]=4 8114 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,2,0,0,0,0|0,0,2]=4 8115 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,2,0,0,0,0|0,0,2]=4 8116 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,2,0,0,0,0|1,0,1]=4 8117 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,2,0,0,0,0|1,0,1]=4 8118 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,2,0,0,0,0|1,0,1]=4 8119 B11R0.3 N#CCCNCCCCCCO 2230a_100000686447_100011215226 [0,2,0,0,0,0|1,0,1]=4 8120 B11R0.3 N#CCCSCCCCCCO 62a_100000766143_100011215226 [0,2,0,0,0,0|1,0,1]=4 8121 B11R0.3 N#CCCSCCCCCCO 62a_100011215226_100000766143 [0,2,0,0,0,0|1,0,1]=4 8122 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 8123 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 8124 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,2]=4 8125 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 8126 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,2,0,0,0,0|0,0,2]=4 8127 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,1]=4 8128 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,2,0,0,0,0|0,0,2]=4 8129 B11R0.3 NCCOCCOCCCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|1,0,1]=4 8130 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,2,0,0,0,0|1,0,1]=4 8131 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,2,0,0,0,0|1,0,1]=4 8132 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,2,0,0,0,0|1,0,1]=4 8133 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,2,0,0,0,0|1,0,1]=4 8134 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,2,0,0,0,0|0,0,2]=4 8135 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,2,0,0,0,0|0,0,2]=4 8136 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,2,0,0,0,0|0,0,2]=4 8137 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,2,0,0,0,0|0,0,2]=4 8138 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,2,0,0,0,0|0,0,2]=4 8139 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|0,0,2]=4 8140 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 8141 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,2,0,0,0,0|0,0,2]=4 8142 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 8143 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,2,0,0,0,0|0,0,2]=4 8144 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,2,0,0,0,0|0,0,2]=4 8145 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,2,0,0,0,0|0,0,2]=4 8146 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,2,0,0,0,0|0,0,2]=4 8147 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,2,0,0,0,0|0,0,2]=4 8148 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 8149 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,2,0,0,0,0|0,0,2]=4 8150 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,2,0,0,0,0|0,0,2]=4 8151 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,2,0,0,0,0|0,0,2]=4 8152 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,2,0,0,0,0|0,0,2]=4 8153 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 8154 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 8155 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,2,0,0,0,0|0,0,2]=4 8156 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,2,0,0,0,0|0,0,2]=4 8157 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,2,0,0,0,0|0,0,2]=4 8158 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,2,0,0,0,0|0,0,2]=4 8159 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,2,0,0,0,0|0,0,2]=4 8160 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,2,0,0,0,0|0,0,2]=4 8161 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,2,0,0,0,0|0,0,2]=4 8162 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,2,0,0,0,0|0,0,2]=4 8163 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,2,0,0,0,0|0,0,2]=4 8164 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 8165 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,2,0,0,0,0|0,0,2]=4 8166 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 8167 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,2]=4 8168 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,2,0,0,0,0|0,0,2]=4 8169 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 8170 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 8171 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,2,0,0,0,0|0,0,2]=4 8172 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,2,0,0,0,0|0,0,2]=4 8173 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,2,0,0,0,0|0,0,2]=4 8174 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,2,0,0,0,0|0,0,2]=4 8175 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,2,0,0,0,0|0,0,2]=4 8176 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 8177 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,2,0,0,0,0|0,0,2]=4 8178 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,2,0,0,0,0|0,0,2]=4 8179 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,2,0,0,0,0|0,0,2]=4 8180 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,2,0,0,0,0|1,0,1]=4 8181 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,2,0,0,0,0|1,0,1]=4 8182 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|1,0,1]=4 8183 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|1,0,1]=4 8184 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,2,0,0,0,0|1,0,1]=4 8185 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,2,0,0,0,0|0,0,2]=4 8186 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,2,0,0,0,0|0,0,2]=4 8187 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,2,0,0,0,0|0,0,2]=4 8188 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,2,0,0,0,0|0,0,2]=4 8189 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,2,0,0,0,0|0,0,2]=4 8190 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,2,0,0,0,0|0,0,2]=4 8191 B11R0.3 OCCCCOCCOCCBr 34a_100000692535_100011216708 [0,2,0,0,0,0|1,0,1]=4 8192 B11R0.3 OCCCCOCCOCCBr 7a_100000692535_100000210776 [0,2,0,0,0,0|1,0,1]=4 8193 B11R0.3 OCCCCOCCOCCCl 34a_100011215305_100011216708 [0,2,0,0,0,0|1,0,1]=4 8194 B11R0.3 OCCCCOCCOCCCl 7a_100011215305_100000210776 [0,2,0,0,0,0|1,0,1]=4 8195 B11R0.3 OCCCCOCCOCCF 34a_200015357709_100011216708 [0,2,0,0,0,0|1,0,1]=4 8196 B11R0.3 OCCCCOCCOCCF 7a_200015357709_100000210776 [0,2,0,0,0,0|1,0,1]=4 8197 B11R0.3 OCCCCOCCOCCI 34a_100012149058_100011216708 [0,2,0,0,0,0|1,0,1]=4 8198 B11R0.3 OCCCCOCCOCCI 7a_100012149058_100000210776 [0,2,0,0,0,0|1,0,1]=4 8199 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,2,0,0,0,0|0,0,2]=4 8200 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,2,0,0,0,0|0,0,2]=4 8201 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,2,0,0,0,0|1,0,1]=4 8202 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,2,0,0,0,0|1,0,1]=4 8203 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,2,0,0,0,0|0,0,2]=4 8204 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,2,0,0,0,0|0,0,2]=4 8205 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,2,0,0,0,0|0,0,2]=4 8206 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,2,0,0,0,0|0,0,2]=4 8207 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,2,0,0,0,0|0,0,2]=4 8208 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,2,0,0,0,0|0,0,2]=4 8209 B11R0.3 OCCCOCCCNCCF 2230a_100011310245_100011217306 [0,2,0,0,0,0|1,0,1]=4 8210 B11R0.3 OCCCOCCCNCCF 34a_100011310245_100011217306 [0,2,0,0,0,0|1,0,1]=4 8211 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,2,0,0,0,0|1,0,1]=4 8212 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,1]=4 8213 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,2,0,0,0,0|0,0,2]=4 8214 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,2,0,0,0,0|0,0,2]=4 8215 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 8216 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 8217 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 8218 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 8219 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 8220 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 8221 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,2,0,0,0,0|0,0,2]=4 8222 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,2,0,0,0,0|0,0,2]=4 8223 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 8224 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 8225 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,2,0,0,0,0|0,0,2]=4 8226 B11R0.140 C#CCCCC(=O)C/C=C/CC 1458a_100016274230_100000731252 [0,2,0,0,0,0|1,0,1]=4 8227 B11R0.140 C#CCCCC(=O)C/C=C\CC 1458a_100000690238_100103147603 [0,2,0,0,0,0|1,0,1]=4 8228 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [0,2,0,0,0,0|0,0,2]=4 8229 B11R0.140 C=CCCCC(=O)C/C=C/CC 1458a_100016274230_100000757094 [0,2,0,0,0,0|1,0,1]=4 8230 B11R0.140 C=CCCCC(=O)C/C=C\CC 1458a_100000766728_100103147603 [0,2,0,0,0,0|1,0,1]=4 8231 B11R0.140 CC/C=C/CC(=O)CC#CCO 1458a_100016274230_200000047223 [0,2,0,0,0,0|0,0,2]=4 8232 B11R0.140 CC/C=C/CC(=O)CCCC#N 1458a_100016274230_100000211468 [0,2,0,0,0,0|1,0,1]=4 8233 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,2,0,0,0,0|1,0,0]=3 8234 B11R0.140 CC/C=C/CC(=O)CCCCF 1458a_100016274230_100000729493 [0,2,0,0,0,0|1,0,0]=3 8235 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,2,0,0,0,0|0,0,0]=2 8236 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [0,2,0,0,0,0|0,0,1]=3 8237 B11R0.140 CC/C=C/CC(=O)CCOCC 1458a_100016274230_100011215890 [0,2,0,0,0,0|1,0,1]=4 8238 B11R0.140 CC/C=C/CC(=O)CCSCC 1458a_100016274230_100000757381 [0,2,0,0,0,0|1,0,1]=4 8239 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [0,2,0,0,0,0|1,0,1]=4 8240 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [0,2,0,0,0,0|1,0,1]=4 8241 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [0,2,0,0,0,0|1,0,1]=4 8242 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [0,2,0,0,0,0|1,0,1]=4 8243 B11R0.140 CC/C=C/CC(=O)NCCCF 11a_100015189416_100016274230 [0,2,0,0,0,0|1,0,1]=4 8244 B11R0.140 CC/C=C/CC(=O)NCCCF 1626a_100015189416_100016274230 [0,2,0,0,0,0|1,0,1]=4 8245 B11R0.140 CC/C=C/CC(=O)NCCCF 240690a_100015189416_100016274230 [0,2,0,0,0,0|1,0,1]=4 8246 B11R0.140 CC/C=C/CC(=O)NCCCF 527a_100015189416_100016274230 [0,2,0,0,0,0|1,0,1]=4 8247 B11R0.140 CC/C=C/CC(=O)NCCCO 240690a_100000182051_100016274230 [0,2,0,0,0,0|0,0,1]=3 8248 B11R0.140 CC/C=C/CC(=O)NCCCO 527a_100000182051_100016274230 [0,2,0,0,0,0|0,0,1]=3 8249 B11R0.140 CC/C=C/CC(=O)NCCOC 1626a_100000209980_100016274230 [0,2,0,0,0,0|1,0,1]=4 8250 B11R0.140 CC/C=C/CC(=O)NCCOC 240690a_100000209980_100016274230 [0,2,0,0,0,0|1,0,1]=4 8251 B11R0.140 CC/C=C/CC(=O)NCCOC 527a_100000209980_100016274230 [0,2,0,0,0,0|1,0,1]=4 8252 B11R0.140 CC/C=C/CC(=O)NNCCO 22a_100000210001_100016274230 [0,2,0,0,0,0|1,0,1]=4 8253 B11R0.140 CC/C=C\CC(=O)CCCC#N 1458a_100000075515_100103147603 [0,2,0,0,0,0|1,0,1]=4 8254 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,2,0,0,0,0|1,0,0]=3 8255 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,2,0,0,0,0|0,0,0]=2 8256 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [0,2,0,0,0,0|0,0,1]=3 8257 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [0,2,0,0,0,0|0,1,1]=4 8258 B11R0.140 CC/C=C\CC(=O)CCOCC 1458a_100000749530_100103147603 [0,2,0,0,0,0|1,0,1]=4 8259 B11R0.140 CC/C=C\CC(=O)CCSCC 1458a_100000230768_100103147603 [0,2,0,0,0,0|1,0,1]=4 8260 B11R0.140 CC/C=C\CC(=O)COCCC 1458a_100000745993_100103147603 [0,2,0,0,0,0|1,0,1]=4 8261 B11R0.140 CC/C=C\CC(=O)COCCO 1458a_100000708028_100103147603 [0,2,0,0,0,0|0,0,1]=3 8262 B11R0.140 CC/C=C\CC(=O)CSCCC 1458a_100000217233_100103147603 [0,2,0,0,0,0|1,0,1]=4 8263 B11R0.140 CC/C=C\CN(C)CCCCC 2230a_100000223495_100103147603 [0,2,0,0,0,0|1,0,0]=3 8264 B11R0.140 CC/C=C\CN(C)CCCCC 269982a_100000223495_100103147603 [0,2,0,0,0,0|1,0,0]=3 8265 B11R0.140 CC/C=C\CN(C)CCCCO 2230a_100000717598_100103147603 [0,2,0,0,0,0|0,0,0]=2 8266 B11R0.140 CC/C=C\CN(C)CCCCO 269982a_100000717598_100103147603 [0,2,0,0,0,0|0,0,0]=2 8267 B11R0.140 CC/C=C\CN(C)CCCOC 2230a_100000224831_100103147603 [0,2,0,0,0,0|1,0,0]=3 8268 B11R0.140 CC/C=C\CN(C)CCCOC 269982a_100000224831_100103147603 [0,2,0,0,0,0|1,0,0]=3 8269 B11R0.140 CCC#CCC(=O)CCCCO 1458a_100000695505_100009813939 [0,2,0,0,0,0|0,0,2]=4 8270 B11R0.140 CCC#CCC(C)OCCCO 34a_200000035118_100000230001 [0,2,0,0,0,0|0,0,2]=4 8271 B11R0.140 CCC#CCC(C)OCCCO 7a_200000035118_100011215043 [0,2,0,0,0,0|0,0,2]=4 8272 B11R0.140 CCC#CCN(C)CCCCO 2230a_100000717598_100009813939 [0,2,0,0,0,0|0,0,2]=4 8273 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,2,0,0,0,0|1,0,1]=4 8274 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [0,2,0,0,0,0|1,0,1]=4 8275 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [0,2,0,0,0,0|0,0,1]=3 8276 B11R0.140 CCCC=CC(=O)NCCCO 240690a_100000182051_100000212230 [0,2,0,0,0,0|1,0,1]=4 8277 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,2,0,0,0,0|1,0,1]=4 8278 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,2,0,0,0,0|1,0,1]=4 8279 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,2,0,0,0,0|0,0,2]=4 8280 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,2,0,0,0,0|0,0,2]=4 8281 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,2,0,0,0,0|0,0,2]=4 8282 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,2,0,0,0,0|0,0,2]=4 8283 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,2,0,0,0,0|0,0,2]=4 8284 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,2,0,0,0,0|0,0,2]=4 8285 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,2,0,0,0,0|0,0,2]=4 8286 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,2,0,0,0,0|0,0,2]=4 8287 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,2,0,0,0,0|0,0,2]=4 8288 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,2,0,0,0,0|0,0,2]=4 8289 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,2,0,0,0,0|0,0,2]=4 8290 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,2,0,0,0,0|0,0,2]=4 8291 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,2,0,0,0,0|1,0,1]=4 8292 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [0,2,0,0,0,0|1,0,1]=4 8293 B11R0.140 CCCSCC(C)NCCCO 270004a_100000182051_100011343953 [0,2,0,0,0,0|1,0,1]=4 8294 B11R0.140 CCOC=CC(=O)CCCCF 1458a_100016266692_100000729493 [0,2,0,0,0,0|1,0,1]=4 8295 B11R0.140 CCOC=CC(=O)CCCCO 1458a_100016266692_100000210776 [0,2,0,0,0,0|0,0,1]=3 8296 B11R0.140 CCOC=CC(=O)NCCCO 240690a_100000182051_100016266692 [0,2,0,0,0,0|1,0,1]=4 8297 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,2,0,0,0,0|1,0,1]=4 8298 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,2,0,0,0,0|1,0,1]=4 8299 B11R0.140 CCOCCC(C)NCCCO 270004a_100000182051_200011216536 [0,2,0,0,0,0|1,0,1]=4 8300 B11R0.140 CCOCCN(C)CCCCO 2230a_100000717598_100011215890 [0,2,0,0,0,0|1,0,1]=4 8301 B11R0.140 CCOCCN(C)CCCCO 269982a_100000717598_100011215890 [0,2,0,0,0,0|1,0,1]=4 8302 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [0,2,0,0,0,0|1,0,1]=4 8303 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [0,2,0,0,0,0|1,0,1]=4 8304 B11R0.140 CCSCCN(C)CCCCO 2230a_100000717598_100000757381 [0,2,0,0,0,0|1,0,1]=4 8305 B11R0.140 CCSCCN(C)CCCCO 269982a_100000717598_100000757381 [0,2,0,0,0,0|1,0,1]=4 8306 B11R0.140 COCC=CC(=O)CCCCF 1458a_100016285016_100000729493 [0,2,0,0,0,0|1,0,1]=4 8307 B11R0.140 COCC=CC(=O)CCCCO 1458a_100016285016_100000210776 [0,2,0,0,0,0|0,0,1]=3 8308 B11R0.140 COCC=CC(=O)NCCCO 240690a_100000182051_100016285016 [0,2,0,0,0,0|1,0,1]=4 8309 B11R0.49 CC/C=C\CCNC(C)(C)CC 2230a_100000211385_100015370543 [0,2,0,0,0,0|2,0,0]=4 8310 B11R0.49 CC/C=C\CCNC(C)(C)CO 2230a_100000210608_100015370543 [0,2,0,0,0,0|1,0,0]=3 8311 B11R0.49 CC/C=C\CCOC(C)(C)CC 7a_100000210230_100015370543 [0,2,0,0,0,0|2,0,0]=4 8312 B11R0.49 CC/C=C\CCOC(C)(C)CC 7a_100016288707_100000210677 [0,2,0,0,0,0|2,0,0]=4 8313 B11R0.49 CC/C=C\CCOC(C)(C)CCl 7a_100000764493_100015370543 [0,2,0,0,0,0|2,0,0]=4 8314 B11R0.49 CC/C=C\CCSC(C)(C)CC 62a_100000032637_100015370543 [0,2,0,0,0,0|2,0,0]=4 8315 B11R0.49 CC/C=C\CCSC(C)(C)CC 62a_100015370543_100000032637 [0,2,0,0,0,0|2,0,0]=4 8316 B11R0.49 CC/C=C\CCSC(F)(F)CO 62a_100011217949_100015370543 [0,2,0,0,0,0|1,0,0]=3 8317 B11R0.49 CC/C=C\CCSC(F)(F)CO 62a_100015370543_100011217949 [0,2,0,0,0,0|1,0,0]=3 8318 B11R0.49 CC/C=C\CNCC(C)(C)CO 2230a_100020635058_100103147603 [0,2,0,0,0,0|1,0,0]=3 8319 B11R0.49 CC/C=C\COCC(C)(C)CC 7a_100000765029_100103147603 [0,2,0,0,0,0|2,0,0]=4 8320 B11R0.49 CC/C=C\COCC(C)(C)CCl 7a_100011217199_100103147603 [0,2,0,0,0,0|2,0,0]=4 8321 B11R0.49 CC/C=C\COCC(C)(C)CO 34a_100016268518_100009813988 [0,2,0,0,0,0|1,0,0]=3 8322 B11R0.49 CC/C=C\COCC(F)(F)CN 34a_100000703232_100103147603 [0,2,0,0,0,0|2,0,0]=4 8323 B11R0.49 CC/C=C\CSCC(C)(C)CO 62a_100009813988_100103147603 [0,2,0,0,0,0|1,0,0]=3 8324 B11R0.49 CC/C=C\CSCC(C)(C)CO 62a_100103147603_100009813988 [0,2,0,0,0,0|1,0,0]=3 8325 B11R0.49 CCC(C)(C)NCCCCCO 2230a_100000211385_100000746330 [0,2,0,0,0,0|1,0,1]=4 8326 B11R0.49 CCC(C)(C)OCCCCCO 7a_100000210230_100000746330 [0,2,0,0,0,0|1,0,1]=4 8327 B11R0.49 CCC(C)(C)SCCCCCO 62a_100000032637_100000746330 [0,2,0,0,0,0|1,0,1]=4 8328 B11R0.49 CCC(C)(C)SCCCCCO 62a_100000746330_100000032637 [0,2,0,0,0,0|1,0,1]=4 8329 B11R0.49 CCCNCCCC(C)(C)CO 2230a_100000039164_100000210303 [0,2,0,0,0,0|1,0,1]=4 8330 B11R0.49 CCS(=O)(=O)NCCCCCO 270084a_100000762737_100000211323 [0,2,0,0,0,0|2,0,0]=4 8331 B11R0.49 CCS(=O)(=O)NCCCCCO 274078a_100000762737_100000211323 [0,2,0,0,0,0|2,0,0]=4 8332 B11R0.49 CCS(=O)(=O)NCCCCCO 40a_100000762737_100000053943 [0,2,0,0,0,0|2,0,0]=4 8333 B11R0.70 CCC(=O)NCC(=O)CCCO 1458a_100000194589_100011215043 [0,2,0,0,0,0|1,0,1]=4 8334 B11R0.70 CCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210414 [0,2,0,0,0,0|1,0,0]=3 8335 B11R0.70 CCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210414 [0,2,0,0,0,0|1,0,0]=3 8336 B11R0.70 CCC(C)NC[C@H](C)CCCO 2230a_100160569302_100000758301 [0,2,0,0,0,0|1,0,1]=4 8337 B11R0.70 CCC(C)NC[C@H](C)CCCO 34a_100160569302_100011215416 [0,2,0,0,0,0|1,0,1]=4 8338 B11R0.70 CCC=CC(=O)NCC(C)CO 240690a_100000744482_100000212282 [0,2,0,0,0,0|1,0,1]=4 8339 B11R0.70 CCC=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000212282 [0,2,0,0,0,0|1,0,1]=4 8340 B11R0.70 CCC=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000212282 [0,2,0,0,0,0|1,0,1]=4 8341 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,2,0,0,0,0|1,0,1]=4 8342 B11R0.70 CNC(=O)NC[C@H](C)CCCO 2708a_100102657272_100160569302 [0,2,0,0,0,0|2,0,0]=4 8343 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100102657272_100160569302 [0,2,0,0,0,0|2,0,0]=4 8344 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100102657272 [0,2,0,0,0,0|2,0,0]=4 8345 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_100160569302_100102657272 [0,2,0,0,0,0|2,0,0]=4 8346 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_106832991638_100160569302 [0,2,0,0,0,0|2,0,0]=4 8347 B11R0.70 C[C@H](CCCO)CNC(=O)CO 240690a_100160569302_100000210174 [0,2,0,0,0,0|2,0,0]=4 8348 B11R0.70 C[C@H](CCCO)CNC(=O)CO 527a_100160569302_100000210174 [0,2,0,0,0,0|2,0,0]=4 8349 B11R0.106 CCC(=O)NCCNC(C)CO 34a_100132302217_100012180447 [0,2,0,0,0,0|2,0,0]=4 8350 B11R0.106 CCC(=O)NCCOC(C)CO 34a_200000158885_100012180447 [0,2,0,0,0,0|2,0,0]=4 8351 B11R0.106 CCC(=O)NCCOC(C)CO 7a_200000158885_100012180447 [0,2,0,0,0,0|2,0,0]=4 8352 B11R0.106 CCC(=O)OCCOC(C)CO 7a_200000031056_100012180447 [0,2,0,0,0,0|2,0,0]=4 8353 B11R0.124 C#CC(CC)OCC/C=C\CC 34a_100000758843_100015370543 [0,2,0,0,0,0|2,0,0]=4 8354 B11R0.124 C#CC(CC)OCC/C=C\CC 7a_100000758843_100015370543 [0,2,0,0,0,0|2,0,0]=4 8355 B11R0.124 C#CC(CC)OCCCCCO 34a_100000758843_100000746330 [0,2,0,0,0,0|1,0,1]=4 8356 B11R0.124 C#CC(CC)OCCCCCO 7a_100000758843_100000746330 [0,2,0,0,0,0|1,0,1]=4 8357 B11R0.124 C=CC(CC)OCC/C=C\CC 34a_100000766422_100015370543 [0,2,0,0,0,0|2,0,0]=4 8358 B11R0.124 C=CC(CC)OCC/C=C\CC 7a_100000766422_100015370543 [0,2,0,0,0,0|2,0,0]=4 8359 B11R0.124 C=CC(CC)OCCCCCO 34a_100000766422_100000746330 [0,2,0,0,0,0|1,0,1]=4 8360 B11R0.124 C=CC(CC)OCCCCCO 7a_100000766422_100000746330 [0,2,0,0,0,0|1,0,1]=4 8361 B11R0.124 C=C[C@@H](CO)NCC/C=C\CC 2230a_100016989147_100015370543 [0,2,0,0,0,0|1,0,0]=3 8362 B11R0.124 C=C[C@@H](CO)NCC/C=C\CC 34a_100016989147_100015370543 [0,2,0,0,0,0|1,0,0]=3 8363 B11R0.124 CC/C=C\CCNC(CC)CC 2230a_100000199018_100015370543 [0,2,0,0,0,0|2,0,0]=4 8364 B11R0.124 CC/C=C\CCNC(CO)CO 2230a_100000759517_100015370543 [0,2,0,0,0,0|1,0,0]=3 8365 B11R0.124 CC/C=C\CCN[C@@H](CC)CO 2230a_100000709445_100015370543 [0,2,0,0,0,0|1,0,0]=3 8366 B11R0.124 CC/C=C\CCOC(CC)CC 7a_100000688536_100015370543 [0,2,0,0,0,0|2,0,0]=4 8367 B11R0.124 CC/C=C\CCOC(CC)CC 7a_100016288707_100000210505 [0,2,0,0,0,0|2,0,0]=4 8368 B11R0.124 CC/C=C\CCOC(CCl)CCl 7a_100000737055_100015370543 [0,2,0,0,0,0|2,0,0]=4 8369 B11R0.124 CC/C=C\CCOC(CF)CF 34a_100000032261_100015370543 [0,2,0,0,0,0|2,0,0]=4 8370 B11R0.124 CC/C=C\CCOC(CF)CF 7a_100000032261_100015370543 [0,2,0,0,0,0|2,0,0]=4 8371 B11R0.124 CC/C=C\CCOC(CN)CN 34a_100000031598_100015370543 [0,2,0,0,0,0|2,0,0]=4 8372 B11R0.124 CC/C=C\CCO[C@@H](CF)CCl 34a_100015614560_100015370543 [0,2,0,0,0,0|2,0,0]=4 8373 B11R0.124 CC/C=C\CCO[C@@H](CF)CCl 7a_100015614560_100015370543 [0,2,0,0,0,0|2,0,0]=4 8374 B11R0.124 CC/C=C\CCSC(CC)CC 62a_100000210505_100015370543 [0,2,0,0,0,0|2,0,0]=4 8375 B11R0.124 CC/C=C\CCSC(CC)CC 62a_100015370543_100000210505 [0,2,0,0,0,0|2,0,0]=4 8376 B11R0.124 CC/C=C\CNCC(CC)CC 2230a_100102946423_100103147603 [0,2,0,0,0,0|2,0,0]=4 8377 B11R0.124 CC/C=C\COCC(CC)CC 34a_100016268518_100011215472 [0,2,0,0,0,0|2,0,0]=4 8378 B11R0.124 CC/C=C\COCC(CC)CC 7a_100000703878_100103147603 [0,2,0,0,0,0|2,0,0]=4 8379 B11R0.124 CC/C=C\COCC(CC)OC 34a_100011934954_100103147603 [0,2,0,0,0,0|2,0,0]=4 8380 B11R0.124 CC/C=C\COCC(CC)OC 7a_100011934954_100103147603 [0,2,0,0,0,0|2,0,0]=4 8381 B11R0.124 CC/C=C\CSCC(CC)CC 62a_100011215472_100103147603 [0,2,0,0,0,0|2,0,0]=4 8382 B11R0.124 CC/C=C\CSCC(CC)CC 62a_100103147603_100011215472 [0,2,0,0,0,0|2,0,0]=4 8383 B11R0.124 CCC(CC)NCCCCCO 2230a_100000199018_100000746330 [0,2,0,0,0,0|1,0,1]=4 8384 B11R0.124 CCC(CC)NCCCCCO 270004a_100000762737_100000210860 [0,2,0,0,0,0|1,0,1]=4 8385 B11R0.124 CCC(CC)OCCCCCO 7a_100000688536_100000746330 [0,2,0,0,0,0|1,0,1]=4 8386 B11R0.124 CCC(CC)SCCCCCO 62a_100000210505_100000746330 [0,2,0,0,0,0|1,0,1]=4 8387 B11R0.124 CCC(CC)SCCCCCO 62a_100000746330_100000210505 [0,2,0,0,0,0|1,0,1]=4 8388 B11R0.124 CCN(CC)CCCCCCO 2230a_100000724800_100000766143 [0,2,0,0,0,0|1,0,1]=4 8389 B11R0.124 CCN(CC)CCCCCCO 269956a_100000042499_100000766143 [0,2,0,0,0,0|1,0,1]=4 8390 B11R0.124 CCN(CC)CCCCCCO 269982a_100000724800_100000766143 [0,2,0,0,0,0|1,0,1]=4 8391 B11R0.124 CC[C@@H](CO)NCCCCCO 2230a_100000709445_100000746330 [0,2,0,0,0,0|1,0,1]=4 8392 B11R0.154 CC/C=C/CC(=O)CC(C)CC 1458a_100016274230_100000748023 [0,2,0,0,0,0|1,0,1]=4 8393 B11R0.154 CC/C=C/CC(=O)CC(O)CC 1458a_100016274230_100011218378 [0,2,0,0,0,0|1,0,1]=4 8394 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CC 1458a_100016274230_100009816398 [0,2,0,0,0,0|1,0,1]=4 8395 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CO 1458a_100016274230_100000059175 [0,2,0,0,0,0|0,0,1]=3 8396 B11R0.154 CC/C=C/CC(=O)N[C@H](C)CO 240690a_100000737577_100016274230 [0,2,0,0,0,0|1,0,1]=4 8397 B11R0.154 CC/C=C/CC(=O)N[C@H](C)CO 527a_100000737577_100016274230 [0,2,0,0,0,0|1,0,1]=4 8398 B11R0.154 CC/C=C\CC(=O)CC(C)CC 1458a_100000708755_100103147603 [0,2,0,0,0,0|1,0,1]=4 8399 B11R0.154 CC/C=C\CC(=O)CC(O)CC 1458a_100011667805_100103147603 [0,2,0,0,0,0|1,0,1]=4 8400 B11R0.154 CC/C=C\CN(C)CC(C)CC 2230a_100000753921_100103147603 [0,2,0,0,0,0|2,0,0]=4 8401 B11R0.154 CC/C=C\CN(C)CC(C)CC 269982a_100000753921_100103147603 [0,2,0,0,0,0|2,0,0]=4 8402 B11R0.154 CC/C=C\CN(C)CC(O)CO 2230a_100011216503_100103147603 [0,2,0,0,0,0|1,0,0]=3 8403 B11R0.154 CC/C=C\CN(C)CC(O)CO 269982a_100011216503_100103147603 [0,2,0,0,0,0|1,0,0]=3 8404 B11R0.154 CCC(=CC(=O)CCCCF)C 1458a_100020758463_100000729493 [0,2,0,0,0,0|1,0,1]=4 8405 B11R0.154 CCC(=CC(=O)CCCCO)C 1458a_100020758463_100000210776 [0,2,0,0,0,0|0,0,1]=3 8406 B11R0.154 CCC(=CC(=O)NCCCO)C 240690a_100000182051_100020758463 [0,2,0,0,0,0|1,0,1]=4 8407 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,2,0,0,0,0|0,0,2]=4 8408 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [0,2,0,0,0,0|1,0,1]=4 8409 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,2,0,0,0,0|1,0,1]=4 8410 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,2,0,0,0,0|2,0,0]=4 8411 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,2,0,0,0,0|2,0,0]=4 8412 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,2,0,0,0,0|2,0,0]=4 8413 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,2,0,0,0,0|2,0,0]=4 8414 B11R0.11 CCC=CC(=O)C(C)CCCC 1458a_100000212282_200011215066 [0,2,0,0,0,0|1,0,1]=4 8415 B11R0.11 CCC=CC(=O)N(C)CCCO 240690a_100000213112_100000212282 [0,2,0,0,0,0|1,0,1]=4 8416 B11R0.152 CC/C=C\CN(CC)CCCC 2230a_100000207695_100103147603 [0,2,0,0,0,0|2,0,0]=4 8417 B11R0.152 CC/C=C\CN(CC)CCCC 269982a_100000207695_100103147603 [0,2,0,0,0,0|2,0,0]=4 8418 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [1,0,0,1,0,0|1,0,0]=3 8419 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [1,0,0,1,0,0|1,0,0]=3 8420 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [1,0,0,1,0,0|1,0,0]=3 8421 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|1,0,1]=4 8422 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|1,0,1]=4 8423 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|1,0,1]=4 8424 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [1,0,0,1,0,0|1,0,0]=3 8425 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 8426 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,1]=4 8427 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 8428 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,0]=3 8429 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,1,0,0|1,0,1]=4 8430 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,1,0,0|1,0,1]=4 8431 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [1,0,0,1,0,0|1,0,0]=3 8432 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 8433 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 8434 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 8435 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,1]=4 8436 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 8437 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [1,0,0,1,0,0|1,0,0]=3 8438 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [1,0,0,1,0,0|2,0,0]=4 8439 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 8440 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,1]=4 8441 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 8442 B9R1.8 COCN1CC=CCC1 2230a_100000698166_100000766300 [1,0,0,1,0,0|2,0,0]=4 8443 B9R1.8 COCN1CC=CCC1 269982a_100000698166_100000766300 [1,0,0,1,0,0|2,0,0]=4 8444 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,1]=4 8445 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,1]=4 8446 B9R1.8 CSCN1CC=CCC1 2230a_100000698166_100011218213 [1,0,0,1,0,0|2,0,0]=4 8447 B9R1.8 CSCN1CC=CCC1 269982a_100000698166_100011218213 [1,0,0,1,0,0|2,0,0]=4 8448 B9R1.8 CSCN1CC=CCC1 34a_100000698166_100011218213 [1,0,0,1,0,0|2,0,0]=4 8449 B9R1.8 FCCN1CC=CCC1 2230a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 8450 B9R1.8 FCCN1CC=CCC1 269982a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 8451 B9R1.8 FCCN1CC=CCC1 34a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 8452 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [1,0,0,1,0,0|2,0,0]=4 8453 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [1,0,0,1,0,0|2,0,0]=4 8454 B9R1.8 OCCN1CC=CCC1 2230a_100000698166_100000211926 [1,0,0,1,0,0|1,0,0]=3 8455 B9R1.8 OCCN1CC=CCC1 269982a_100000698166_100000211926 [1,0,0,1,0,0|1,0,0]=3 8456 B9R1.8 OCCN1CC=CCC1 34a_100000698166_100000211926 [1,0,0,1,0,0|1,0,0]=3 8457 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 8458 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 8459 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 8460 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 8461 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 8462 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 8463 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 8464 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [1,0,0,1,0,0|1,0,0]=3 8465 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [1,0,0,1,0,0|2,0,0]=4 8466 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 8467 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 8468 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,1]=4 8469 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,1]=4 8470 B9R1.12 C/C=C/CN1CCCC1 269982a_100000188435_100102629194 [1,0,0,1,0,0|2,0,0]=4 8471 B9R1.12 CC=CCN1CCCC1 2230a_100000188435_100000070051 [1,0,0,1,0,0|2,0,0]=4 8472 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [1,0,0,1,0,0|2,0,0]=4 8473 B9R1.12 CCCNC1CC=CC1 2230a_100015188752_100000210303 [1,0,0,1,0,0|2,0,0]=4 8474 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|1,0,1]=4 8475 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|1,0,1]=4 8476 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|1,0,1]=4 8477 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|1,0,1]=4 8478 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|1,0,1]=4 8479 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|1,0,1]=4 8480 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,1]=4 8481 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|1,0,1]=4 8482 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|1,0,1]=4 8483 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 8484 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,1]=4 8485 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,1]=4 8486 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 8487 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,0]=3 8488 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 8489 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,1,0,0|2,0,0]=4 8490 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 8491 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 8492 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 8493 B9R1.12 CCOCC1CC=CC1 34a_100000688395_100000210202 [1,0,0,1,0,0|2,0,0]=4 8494 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|1,0,1]=4 8495 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|1,0,1]=4 8496 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|1,0,1]=4 8497 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 8498 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 8499 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,1,0,0|2,0,0]=4 8500 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,1,0,0|2,0,0]=4 8501 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,1,0,0|2,0,0]=4 8502 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 8503 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|1,0,1]=4 8504 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|1,0,1]=4 8505 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,0]=3 8506 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,0]=3 8507 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,1,0,0|2,0,0]=4 8508 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,1,0,0|2,0,0]=4 8509 B9R1.12 FCCCN1CC=CC1 269982a_100015195280_100011934791 [1,0,0,1,0,0|2,0,0]=4 8510 B9R1.12 FCCNC1CC=CC1 2230a_100015188752_100011217306 [1,0,0,1,0,0|2,0,0]=4 8511 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [1,0,0,1,0,0|2,0,0]=4 8512 B9R1.12 FCOCC1CC=CC1 34a_100000688395_100015361967 [1,0,0,1,0,0|2,0,0]=4 8513 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 8514 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 8515 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [1,0,0,1,0,0|2,0,0]=4 8516 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [1,0,0,1,0,0|2,0,0]=4 8517 B9R1.12 OCCCN1CC=CC1 269982a_100015195280_100011215043 [1,0,0,1,0,0|1,0,0]=3 8518 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,1,0,0|1,0,1]=4 8519 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,1,0,0|1,0,1]=4 8520 B9R1.12 OCCCN1CCSC1 2230a_100011215254_100000230001 [1,0,0,1,0,0|2,0,0]=4 8521 B9R1.12 OCCCN1CCSC1 269982a_100011215254_100011215043 [1,0,0,1,0,0|2,0,0]=4 8522 B9R1.12 OCCNC1CC=CC1 2230a_100015188752_100000211926 [1,0,0,1,0,0|1,0,0]=3 8523 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|1,0,1]=4 8524 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|1,0,1]=4 8525 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|1,0,1]=4 8526 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|1,0,1]=4 8527 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|1,0,1]=4 8528 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [1,0,0,1,0,0|2,0,0]=4 8529 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [1,0,0,1,0,0|2,0,0]=4 8530 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [1,0,0,1,0,0|2,0,0]=4 8531 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [1,0,0,1,0,0|2,0,0]=4 8532 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [1,0,0,1,0,0|2,0,0]=4 8533 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 8534 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 8535 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,1]=4 8536 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,1]=4 8537 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [1,0,0,1,0,0|2,0,0]=4 8538 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [1,0,0,1,0,0|2,0,0]=4 8539 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,0,1]=4 8540 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,0,1]=4 8541 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [1,0,0,1,0,0|2,0,0]=4 8542 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 8543 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,1]=4 8544 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 8545 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|1,0,0]=3 8546 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|1,0,0]=3 8547 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,0]=3 8548 B9R1.14 OC[C@H]1CCCN1CF 269982a_100000745186_100015361967 [1,0,0,1,0,0|2,0,0]=4 8549 B9R1.14 OC[C@H]1CCCN1CF 34a_100000745186_100015361967 [1,0,0,1,0,0|2,0,0]=4 8550 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|1,0,1]=4 8551 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|1,0,1]=4 8552 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|1,0,1]=4 8553 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 8554 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 8555 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 8556 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,1]=4 8557 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,1]=4 8558 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,1]=4 8559 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,1]=4 8560 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 8561 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 8562 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 8563 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,1]=4 8564 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,1]=4 8565 B9R1.16 C/C=C/CN[C@@H]1C[C@H]1F 34a_100025746932_100102629194 [1,0,0,1,0,0|2,0,0]=4 8566 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,1]=4 8567 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,1]=4 8568 B9R1.16 CC=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000070051 [1,0,0,1,0,0|2,0,0]=4 8569 B9R1.16 CC=CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000070051 [1,0,0,1,0,0|2,0,0]=4 8570 B9R1.16 CC=CCN[C@@H]1C[C@H]1F 34a_100025746932_100000070051 [1,0,0,1,0,0|2,0,0]=4 8571 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|1,0,1]=4 8572 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|1,0,1]=4 8573 B9R1.17 C/C=C/CNC1CCC1 34a_100000749019_100102629194 [1,0,0,1,0,0|2,0,0]=4 8574 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [1,0,0,1,0,0|2,0,0]=4 8575 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [1,0,0,1,0,0|2,0,0]=4 8576 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [1,0,0,1,0,0|2,0,0]=4 8577 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [1,0,0,1,0,0|1,0,0]=3 8578 B9R1.17 CC=CCNC1CCC1 2230a_100000749019_100000070051 [1,0,0,1,0,0|2,0,0]=4 8579 B9R1.17 CC=CCNC1CCC1 34a_100000749019_100000070051 [1,0,0,1,0,0|2,0,0]=4 8580 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [1,0,0,1,0,0|2,0,0]=4 8581 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [1,0,0,1,0,0|2,0,0]=4 8582 B9R1.17 CCC=NNC1CCC1 4a_100000736358_100000210100 [1,0,0,1,0,0|2,0,0]=4 8583 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|1,0,1]=4 8584 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|1,0,1]=4 8585 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|1,0,1]=4 8586 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|1,0,1]=4 8587 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 8588 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 8589 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|1,0,1]=4 8590 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|1,0,1]=4 8591 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,1]=4 8592 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,1]=4 8593 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|1,0,1]=4 8594 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|1,0,1]=4 8595 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,0,1]=4 8596 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,0,1]=4 8597 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|1,0,1]=4 8598 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [1,0,0,1,0,0|1,0,1]=4 8599 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [1,0,0,1,0,0|1,0,1]=4 8600 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [1,0,0,1,0,0|1,0,1]=4 8601 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [1,0,0,1,0,0|1,0,1]=4 8602 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [1,0,0,1,0,0|1,0,1]=4 8603 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|1,0,1]=4 8604 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|1,0,1]=4 8605 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|1,0,1]=4 8606 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|1,0,1]=4 8607 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|1,0,1]=4 8608 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [1,0,0,1,0,0|2,0,0]=4 8609 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [1,0,0,1,0,0|2,0,0]=4 8610 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 8611 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 8612 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,1]=4 8613 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [1,0,0,1,0,0|2,0,0]=4 8614 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,0,1]=4 8615 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,0,1]=4 8616 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [1,0,0,1,0,0|2,0,0]=4 8617 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 8618 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 8619 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 8620 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 8621 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|1,0,1]=4 8622 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|1,0,1]=4 8623 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 8624 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 8625 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 8626 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|1,0,1]=4 8627 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [1,0,0,1,0,0|2,0,0]=4 8628 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 8629 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 8630 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [1,0,0,1,0,0|2,0,0]=4 8631 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 8632 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [1,0,0,1,0,0|2,0,0]=4 8633 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [1,0,0,1,0,0|2,0,0]=4 8634 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [1,0,0,1,0,0|2,0,0]=4 8635 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,0,0]=3 8636 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,0,0]=3 8637 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 8638 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 8639 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 8640 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|1,0,1]=4 8641 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|1,0,1]=4 8642 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [1,0,0,1,0,0|2,0,0]=4 8643 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [1,0,0,1,0,0|2,0,0]=4 8644 B9R1.39 C/C=C/CN1CCC1C 269982a_100000755817_100102629194 [1,0,0,1,0,0|2,0,0]=4 8645 B9R1.39 C/C=C/CN1CCC1C 34a_100000755817_100102629194 [1,0,0,1,0,0|2,0,0]=4 8646 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [1,0,0,1,0,0|1,0,1]=4 8647 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [1,0,0,1,0,0|1,0,1]=4 8648 B9R1.39 CC=CCN1CCC1C 34a_100000755817_100000070051 [1,0,0,1,0,0|2,0,0]=4 8649 B9R1.83 C/C=C/CCOC1CC1 34a_100016278192_100000211595 [1,0,0,1,0,0|2,0,0]=4 8650 B9R1.83 C/C=C/CNCC1CC1 34a_100000735609_100102629194 [1,0,0,1,0,0|2,0,0]=4 8651 B9R1.83 C/C=C/COCC1CC1 34a_100000211283_100102629194 [1,0,0,1,0,0|2,0,0]=4 8652 B9R1.83 C/C=C/COCC1CC1 34a_100016270725_100000742324 [1,0,0,1,0,0|2,0,0]=4 8653 B9R1.83 C/C=C/COCC1CO1 34a_100016270725_102125554688 [1,0,0,1,0,0|1,0,0]=3 8654 B9R1.83 C/C=C/COC[C@@H]1CO1 34a_100000757423_100102629194 [1,0,0,1,0,0|1,0,0]=3 8655 B9R1.83 C/C=C/CSCC1CC1 62a_100000756562_100102629194 [1,0,0,1,0,0|2,0,0]=4 8656 B9R1.83 C/C=C/CSCC1CC1 62a_100102629194_100000742324 [1,0,0,1,0,0|2,0,0]=4 8657 B9R1.83 C/C=C/CSCC1CO1 62a_100102629194_102125554688 [1,0,0,1,0,0|1,0,0]=3 8658 B9R1.83 C/C=C/CSCC1CO1 62a_102125554688_100102629194 [1,0,0,1,0,0|1,0,0]=3 8659 B9R1.83 C/C=C/CSCC1CS1 62a_100000031435_100102629194 [1,0,0,1,0,0|1,1,0]=4 8660 B9R1.83 C/C=C/CSCC1CS1 62a_100102629194_100000031435 [1,0,0,1,0,0|1,1,0]=4 8661 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100000745022_100102629194 [1,0,0,1,0,0|1,0,0]=3 8662 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100102629194_100000745022 [1,0,0,1,0,0|1,0,0]=3 8663 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,1,0,0|1,0,0]=3 8664 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|1,0,0]=3 8665 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,1,0,0|1,0,0]=3 8666 B9R1.83 CC=CCNCC1CC1 2230a_100000735609_100000070051 [1,0,0,1,0,0|2,0,0]=4 8667 B9R1.83 CC=CCNCC1CC1 34a_100000735609_100000070051 [1,0,0,1,0,0|2,0,0]=4 8668 B9R1.83 CC=CCOCC1CC1 34a_100000211283_100000070051 [1,0,0,1,0,0|2,0,0]=4 8669 B9R1.83 CC=CCOC[C@@H]1CO1 34a_100000757423_100000070051 [1,0,0,1,0,0|1,0,0]=3 8670 B9R1.83 CC=CCSCC1CC1 62a_100000070051_100000742324 [1,0,0,1,0,0|2,0,0]=4 8671 B9R1.83 CC=CCSCC1CC1 62a_100000756562_100000070051 [1,0,0,1,0,0|2,0,0]=4 8672 B9R1.83 CC=CCSCC1CO1 62a_100000070051_102125554688 [1,0,0,1,0,0|1,0,0]=3 8673 B9R1.83 CC=CCSCC1CO1 62a_102125554688_100000070051 [1,0,0,1,0,0|1,0,0]=3 8674 B9R1.83 CC=CCSCC1CS1 62a_100000031435_100000070051 [1,0,0,1,0,0|1,1,0]=4 8675 B9R1.83 CC=CCSCC1CS1 62a_100000070051_100000031435 [1,0,0,1,0,0|1,1,0]=4 8676 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000070051_100000745022 [1,0,0,1,0,0|1,0,0]=3 8677 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000745022_100000070051 [1,0,0,1,0,0|1,0,0]=3 8678 B9R1.83 CCC=NNCC1CC1 4a_100000736359_100000210100 [1,0,0,1,0,0|2,0,0]=4 8679 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|1,0,1]=4 8680 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|1,0,1]=4 8681 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|1,0,1]=4 8682 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|1,0,1]=4 8683 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|1,0,1]=4 8684 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|1,0,1]=4 8685 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|1,0,1]=4 8686 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|1,0,1]=4 8687 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|1,0,1]=4 8688 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|1,0,1]=4 8689 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|1,0,1]=4 8690 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|1,0,1]=4 8691 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|1,0,1]=4 8692 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|1,0,1]=4 8693 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|1,0,1]=4 8694 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|1,0,1]=4 8695 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|1,0,1]=4 8696 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|1,0,1]=4 8697 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,1]=4 8698 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,1]=4 8699 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|1,0,1]=4 8700 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|1,0,1]=4 8701 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,0,1]=4 8702 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,0,1]=4 8703 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|1,0,0]=3 8704 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,0]=3 8705 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [1,0,0,1,0,0|2,0,0]=4 8706 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [1,0,0,1,0,0|2,0,0]=4 8707 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [1,0,0,1,0,0|2,0,0]=4 8708 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [1,0,0,1,0,0|2,0,0]=4 8709 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|1,0,0]=3 8710 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|1,0,0]=3 8711 B9R1.83 FCSCCCC1CO1 62a_100000733510_100015361967 [1,0,0,1,0,0|2,0,0]=4 8712 B9R1.83 FCSCCCC1CO1 62a_100015361967_100000733510 [1,0,0,1,0,0|2,0,0]=4 8713 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|1,0,1]=4 8714 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|1,0,1]=4 8715 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,0,1]=4 8716 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [1,0,0,1,0,0|1,0,1]=4 8717 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [1,0,0,1,0,0|1,0,1]=4 8718 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [1,0,0,1,0,0|1,0,1]=4 8719 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [1,0,0,1,0,0|1,0,1]=4 8720 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [1,0,0,1,0,0|1,0,1]=4 8721 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [1,0,0,1,0,0|1,0,1]=4 8722 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|1,0,1]=4 8723 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|1,0,1]=4 8724 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|1,0,1]=4 8725 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,1]=4 8726 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,1]=4 8727 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,0,1]=4 8728 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,0,1]=4 8729 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 8730 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,1]=4 8731 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 8732 B11R1.4 C/C=C/CNC[C@@H]1CCCO1 34a_100020590478_100102629194 [0,1,0,1,0,0|0,0,2]=4 8733 B11R1.4 C/C=C/COCC1CCCO1 34a_100000210270_100102629194 [0,1,0,1,0,0|0,0,2]=4 8734 B11R1.4 C/C=C/COCC1CCCO1 7a_100000210270_100102629194 [0,1,0,1,0,0|0,0,2]=4 8735 B11R1.4 C/C=C/CSCC1CCCO1 62a_100000203698_100102629194 [0,1,0,1,0,0|0,0,2]=4 8736 B11R1.4 C/C=C/CSCC1CCCO1 62a_100102629194_100000203698 [0,1,0,1,0,0|0,0,2]=4 8737 B11R1.4 CC/C=C\CCN1CCCC1 2230a_100000188435_100015370543 [0,1,0,1,0,0|1,0,0]=3 8738 B11R1.4 CC/C=C\CCN1CCCC1 269982a_100000188435_100015370543 [0,1,0,1,0,0|1,0,0]=3 8739 B11R1.4 CC/C=C\CCN1CCSC1 2230a_100011215254_100015370543 [0,1,0,1,0,0|1,1,0]=4 8740 B11R1.4 CC/C=C\CCN1CCSC1 269982a_100011215254_100015370543 [0,1,0,1,0,0|1,1,0]=4 8741 B11R1.4 CC/C=C\CNC1CCCC1 2230a_100000211070_100103147603 [0,1,0,1,0,0|1,0,0]=3 8742 B11R1.4 CC/C=C\CNC1CCCC1 34a_100000211070_100103147603 [0,1,0,1,0,0|1,0,0]=3 8743 B11R1.4 CC/C=C\CN[C@@H]1CCOC1 2230a_200015188469_100103147603 [0,1,0,1,0,0|1,0,0]=3 8744 B11R1.4 CC/C=C\CN[C@H]1CCOC1 2230a_100015188467_100103147603 [0,1,0,1,0,0|1,0,0]=3 8745 B11R1.4 CC/C=C\CN[C@H]1CCOC1 34a_100015188467_100103147603 [0,1,0,1,0,0|1,0,0]=3 8746 B11R1.4 CC/C=C\COC1CCCC1 34a_100000210269_100103147603 [0,1,0,1,0,0|1,0,0]=3 8747 B11R1.4 CC/C=C\COC1CCCC1 34a_100016268518_100000179811 [0,1,0,1,0,0|1,0,0]=3 8748 B11R1.4 CC/C=C\COC1CCCC1 7a_100000210269_100103147603 [0,1,0,1,0,0|1,0,0]=3 8749 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [0,1,0,1,0,0|0,0,0]=2 8750 B11R1.4 CC/C=C\COC1CCOC1 34a_100016268518_100000690089 [0,1,0,1,0,0|1,0,0]=3 8751 B11R1.4 CC/C=C\COC1CCSC1 7a_100011232664_100103147603 [0,1,0,1,0,0|1,1,0]=4 8752 B11R1.4 CC/C=C\CO[C@H]1CCOC1 34a_100000717292_100103147603 [0,1,0,1,0,0|1,0,0]=3 8753 B11R1.4 CC/C=C\CSC1CCCC1 62a_100011217020_100103147603 [0,1,0,1,0,0|1,0,0]=3 8754 B11R1.4 CC/C=C\CSC1CCCC1 62a_100103147603_100000179811 [0,1,0,1,0,0|1,0,0]=3 8755 B11R1.4 CC/C=C\CSC1CCOC1 62a_100103147603_100000690089 [0,1,0,1,0,0|1,0,0]=3 8756 B11R1.4 CC=CCNC[C@@H]1CCCO1 2230a_100020590478_100000070051 [0,1,0,1,0,0|0,0,2]=4 8757 B11R1.4 CC=CCNC[C@@H]1CCCO1 34a_100020590478_100000070051 [0,1,0,1,0,0|0,0,2]=4 8758 B11R1.4 CC=CCOCC1CCCO1 34a_100000210270_100000070051 [0,1,0,1,0,0|0,0,2]=4 8759 B11R1.4 CC=CCOCC1CCCO1 7a_100000210270_100000070051 [0,1,0,1,0,0|0,0,2]=4 8760 B11R1.4 CC=CCSCC1CCCO1 62a_100000070051_100000203698 [0,1,0,1,0,0|0,0,2]=4 8761 B11R1.4 CC=CCSCC1CCCO1 62a_100000203698_100000070051 [0,1,0,1,0,0|0,0,2]=4 8762 B11R1.4 CCC#CCOC1CCCO1 34a_100000085407_100009813939 [0,1,0,1,0,0|0,0,2]=4 8763 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,1,0,1,0,0|0,0,2]=4 8764 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,1,0,1,0,0|0,0,2]=4 8765 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,1,0,1,0,0|0,0,2]=4 8766 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,1,0,1,0,0|0,0,2]=4 8767 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,1,0,1,0,0|0,0,2]=4 8768 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,1,0,1,0,0|0,0,2]=4 8769 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,1,0,1,0,0|0,0,2]=4 8770 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,1,0,1,0,0|0,0,2]=4 8771 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,1,0,1,0,0|0,0,2]=4 8772 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,1,0,1,0,0|0,0,2]=4 8773 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [0,1,0,1,0,0|1,0,1]=4 8774 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [0,1,0,1,0,0|1,0,1]=4 8775 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [0,1,0,1,0,0|1,0,1]=4 8776 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [0,1,0,1,0,0|1,0,1]=4 8777 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [0,1,0,1,0,0|1,0,1]=4 8778 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [0,1,0,1,0,0|1,0,1]=4 8779 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [0,1,0,1,0,0|1,0,1]=4 8780 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [0,1,0,1,0,0|1,0,1]=4 8781 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [0,1,0,1,0,0|1,0,1]=4 8782 B11R1.4 CCOCCOC1CCCO1 34a_100000085407_100000210147 [0,1,0,1,0,0|1,0,1]=4 8783 B11R1.4 CCOCSCC1CCCO1 62a_100000203698_100000739092 [0,1,0,1,0,0|1,0,1]=4 8784 B11R1.4 CCOCSCC1CCCO1 62a_100000739092_100000203698 [0,1,0,1,0,0|1,0,1]=4 8785 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [0,1,0,1,0,0|1,0,1]=4 8786 B11R1.4 CCSCCOC1CCCO1 34a_100000085407_100000757381 [0,1,0,1,0,0|1,0,1]=4 8787 B11R1.4 COCCNCC1CCCO1 2230a_100000209980_100000203698 [0,1,0,1,0,0|1,0,1]=4 8788 B11R1.4 COCCNC[C@@H]1CCCO1 2230a_100020590478_100011201679 [0,1,0,1,0,0|1,0,1]=4 8789 B11R1.4 COCCNC[C@@H]1CCCO1 34a_100020590478_100011201679 [0,1,0,1,0,0|1,0,1]=4 8790 B11R1.4 COCCOCC1CCCO1 34a_100000210270_100011201679 [0,1,0,1,0,0|1,0,1]=4 8791 B11R1.4 COCCOCC1CCCO1 7a_100000210270_100000233755 [0,1,0,1,0,0|1,0,1]=4 8792 B11R1.4 COCCSCC1CCCO1 62a_100000203698_100000233755 [0,1,0,1,0,0|1,0,1]=4 8793 B11R1.4 COCCSCC1CCCO1 62a_100000233755_100000203698 [0,1,0,1,0,0|1,0,1]=4 8794 B11R1.4 CSCCNCC1CCCO1 2230a_100020590264_100000203698 [0,1,0,1,0,0|1,0,1]=4 8795 B11R1.4 CSCCNC[C@@H]1CCCO1 2230a_100020590478_100000751147 [0,1,0,1,0,0|1,0,1]=4 8796 B11R1.4 CSCCNC[C@@H]1CCCO1 34a_100020590478_100000212216 [0,1,0,1,0,0|1,0,1]=4 8797 B11R1.4 CSCCOCC1CCCO1 34a_100000210270_100000212216 [0,1,0,1,0,0|1,0,1]=4 8798 B11R1.4 CSCCOCC1CCCO1 7a_100000210270_100000212216 [0,1,0,1,0,0|1,0,1]=4 8799 B11R1.4 CSCCOCC1CCCO1 7a_100000230434_100000203698 [0,1,0,1,0,0|1,0,1]=4 8800 B11R1.4 CSCCSCC1CCCO1 62a_100000203698_100000751147 [0,1,0,1,0,0|1,0,1]=4 8801 B11R1.4 CSCCSCC1CCCO1 62a_100000212216_100000203698 [0,1,0,1,0,0|1,0,1]=4 8802 B11R1.4 FCCCNCC1CCCO1 2230a_100015189416_100000203698 [0,1,0,1,0,0|1,0,1]=4 8803 B11R1.4 FCCCNC[C@@H]1CCCO1 2230a_100020590478_100011934791 [0,1,0,1,0,0|1,0,1]=4 8804 B11R1.4 FCCCNC[C@@H]1CCCO1 34a_100020590478_100011934791 [0,1,0,1,0,0|1,0,1]=4 8805 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [0,1,0,1,0,0|1,0,1]=4 8806 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [0,1,0,1,0,0|1,0,1]=4 8807 B11R1.4 FCCCSCC1CCCO1 62a_100000203698_100011934791 [0,1,0,1,0,0|1,0,1]=4 8808 B11R1.4 FCCCSCC1CCCO1 62a_100011934791_100000203698 [0,1,0,1,0,0|1,0,1]=4 8809 B11R1.4 OCCCCCN1CC=CC1 269982a_100015195280_100000746330 [0,1,0,1,0,0|0,0,2]=4 8810 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [0,1,0,1,0,0|0,0,2]=4 8811 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [0,1,0,1,0,0|0,0,2]=4 8812 B11R1.4 OCCCCCN1CCSC1 2230a_100011215254_100000746330 [0,1,0,1,0,0|1,0,1]=4 8813 B11R1.4 OCCCCCN1CCSC1 269982a_100011215254_100000746330 [0,1,0,1,0,0|1,0,1]=4 8814 B11R1.4 OCCCCNC1CC=CC1 2230a_100015188752_100000210776 [0,1,0,1,0,0|0,0,2]=4 8815 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [0,1,0,1,0,0|0,0,2]=4 8816 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [0,1,0,1,0,0|0,0,2]=4 8817 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [0,1,0,1,0,0|0,0,2]=4 8818 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [0,1,0,1,0,0|0,0,2]=4 8819 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [0,1,0,1,0,0|0,0,2]=4 8820 B11R1.4 OCCCCNC1CCOC1 2230a_100000750430_100000731011 [0,1,0,1,0,0|1,0,1]=4 8821 B11R1.4 OCCCCNC1CCOC1 270004a_100000750430_100000752484 [0,1,0,1,0,0|1,0,1]=4 8822 B11R1.4 OCCCCNC1CCOC1 34a_100000750430_100000690089 [0,1,0,1,0,0|1,0,1]=4 8823 B11R1.4 OCCCCNC1CCSC1 270004a_100000750430_100000212027 [0,1,0,1,0,0|1,0,1]=4 8824 B11R1.4 OCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210776 [0,1,0,1,0,0|1,0,1]=4 8825 B11R1.4 OCCCCN[C@H]1CCOC1 2230a_100015188467_100000210776 [0,1,0,1,0,0|1,0,1]=4 8826 B11R1.4 OCCCCN[C@H]1CCOC1 34a_100015188467_100011216708 [0,1,0,1,0,0|1,0,1]=4 8827 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [0,1,0,1,0,0|0,0,2]=4 8828 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [0,1,0,1,0,0|0,0,2]=4 8829 B11R1.4 OCCCCOC1CCCO1 34a_100000085407_100011216708 [0,1,0,1,0,0|1,0,1]=4 8830 B11R1.4 OCCCCOC1CCSC1 7a_100011232664_100000210776 [0,1,0,1,0,0|1,0,1]=4 8831 B11R1.4 OCCCCO[C@H]1CCOC1 34a_100000717292_100011216708 [0,1,0,1,0,0|1,0,1]=4 8832 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [0,1,0,1,0,0|0,0,2]=4 8833 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [0,1,0,1,0,0|0,0,2]=4 8834 B11R1.4 OCCCCSC1CCOC1 62a_100000210776_100000690089 [0,1,0,1,0,0|1,0,1]=4 8835 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [0,1,0,1,0,0|0,0,2]=4 8836 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [0,1,0,1,0,0|0,0,2]=4 8837 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [0,1,0,1,0,0|0,0,2]=4 8838 B11R1.4 OCCCNCC1CCOC1 2230a_100000737293_100000230001 [0,1,0,1,0,0|1,0,1]=4 8839 B11R1.4 OCCCNCC1CCOC1 34a_100000737293_100000230001 [0,1,0,1,0,0|1,0,1]=4 8840 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [0,1,0,1,0,0|1,0,1]=4 8841 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [0,1,0,1,0,0|1,0,1]=4 8842 B11R1.4 OCCCOCC1CC=CC1 34a_100000688395_100000230001 [0,1,0,1,0,0|0,0,2]=4 8843 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [0,1,0,1,0,0|0,0,2]=4 8844 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [0,1,0,1,0,0|0,0,2]=4 8845 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [0,1,0,1,0,0|1,0,1]=4 8846 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [0,1,0,1,0,0|1,0,1]=4 8847 B11R1.4 OCCCOCC1CCNC1 34a_100000748654_100000230001 [0,1,0,1,0,0|1,0,1]=4 8848 B11R1.4 OCCCOCC1CCOC1 34a_100000740260_100000230001 [0,1,0,1,0,0|1,0,1]=4 8849 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [0,1,0,1,0,0|1,0,1]=4 8850 B11R1.4 OCCCSCC1=NCCN1 62a_100000737910_100011215043 [0,1,0,1,0,0|2,0,0]=4 8851 B11R1.4 OCCCSCC1=NCCN1 62a_100011215043_100000737910 [0,1,0,1,0,0|2,0,0]=4 8852 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [0,1,0,1,0,0|0,0,2]=4 8853 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [0,1,0,1,0,0|0,0,2]=4 8854 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [0,1,0,1,0,0|1,0,1]=4 8855 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [0,1,0,1,0,0|1,0,1]=4 8856 B11R1.4 OCCCSCC1CCOC1 62a_100000702531_100011215043 [0,1,0,1,0,0|1,0,1]=4 8857 B11R1.4 OCCCSCC1CCOC1 62a_100011215043_100000702531 [0,1,0,1,0,0|1,0,1]=4 8858 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [0,1,0,1,0,0|0,0,2]=4 8859 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [0,1,0,1,0,0|0,0,2]=4 8860 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [0,1,0,1,0,0|0,0,2]=4 8861 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [0,1,0,1,0,0|0,0,2]=4 8862 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [0,1,0,1,0,0|0,0,2]=4 8863 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [0,1,0,1,0,0|0,0,2]=4 8864 B11R1.4 OCCOCCC1CCNC1 34a_100016987287_100000211926 [0,1,0,1,0,0|1,0,1]=4 8865 B11R1.4 OCCOCCC1CCOC1 34a_100011879284_100000211926 [0,1,0,1,0,0|1,0,1]=4 8866 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [0,1,0,1,0,0|0,0,2]=4 8867 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [0,1,0,1,0,0|0,0,2]=4 8868 B11R1.16 CC(CCO)N1CC=CCC1 2230a_100000698166_100009893172 [0,1,0,1,0,0|1,0,0]=3 8869 B11R1.16 CC(CCO)N1CC=CCC1 269982a_100000698166_100009893172 [0,1,0,1,0,0|1,0,0]=3 8870 B11R1.16 CC(CCO)N1CC=CCC1 34a_100000698166_100009893172 [0,1,0,1,0,0|1,0,0]=3 8871 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,1,0,1,0,0|1,0,1]=4 8872 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|1,0,1]=4 8873 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|1,0,1]=4 8874 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,1,0,0|0,0,1]=3 8875 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|1,0,1]=4 8876 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,1,0,1,0,0|1,0,1]=4 8877 B11R1.16 CCCC(C)N1CC=CCC1 2230a_100000698166_100000766640 [0,1,0,1,0,0|2,0,0]=4 8878 B11R1.16 CCCC(C)N1CC=CCC1 269982a_100000698166_100000766640 [0,1,0,1,0,0|2,0,0]=4 8879 B11R1.16 CCCC(C)N1CC=CCC1 270004a_100000698166_100000211909 [0,1,0,1,0,0|2,0,0]=4 8880 B11R1.16 CCCC(C)N1CC=CCC1 34a_100000698166_100000766640 [0,1,0,1,0,0|2,0,0]=4 8881 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,1,0,1,0,0|2,0,0]=4 8882 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,1,0,1,0,0|2,0,0]=4 8883 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,1,0,1,0,0|2,0,0]=4 8884 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 8885 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 8886 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 8887 B11R1.16 CCNC(=O)C1COCCO1 11a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 8888 B11R1.16 CCNC(=O)C1COCCO1 240690a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 8889 B11R1.16 CCNC(=O)C1COCCO1 527a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 8890 B11R1.16 CNNC(=O)C1CCCCO1 22a_100016993582_100000748299 [0,1,0,1,0,0|2,0,0]=4 8891 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,1,0,1,0,0|1,0,1]=4 8892 B11R1.16 O=C(CCF)[C@H]1CC=CCC1 1458a_100009820709_100011217306 [0,1,0,1,0,0|1,0,1]=4 8893 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|1,0,1]=4 8894 B11R1.16 O=C(CCO)N1CC=CCC1 240690a_100000698166_100011216618 [0,1,0,1,0,0|1,0,1]=4 8895 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [0,1,0,1,0,0|0,0,1]=3 8896 B11R1.24 CC1=CCCN(C1)CCCF 2230a_100000725631_100011934791 [0,1,0,1,0,0|2,0,0]=4 8897 B11R1.24 CC1=CCCN(C1)CCCF 269982a_100000725631_100011934791 [0,1,0,1,0,0|2,0,0]=4 8898 B11R1.24 CC1=CCCN(C1)CCCF 34a_100000725631_100011934791 [0,1,0,1,0,0|2,0,0]=4 8899 B11R1.24 CC1=CCCN(C1)CCCO 2230a_100000725631_100000230001 [0,1,0,1,0,0|1,0,0]=3 8900 B11R1.24 CC1=CCCN(C1)CCCO 269982a_100000725631_100011215043 [0,1,0,1,0,0|1,0,0]=3 8901 B11R1.24 CC1=CCCN(C1)CCCO 34a_100000725631_100000230001 [0,1,0,1,0,0|1,0,0]=3 8902 B11R1.24 CCCCN1CCC=C(C1)C 2230a_100000725631_100000210211 [0,1,0,1,0,0|2,0,0]=4 8903 B11R1.24 CCCCN1CCC=C(C1)C 269982a_100000725631_100000210211 [0,1,0,1,0,0|2,0,0]=4 8904 B11R1.24 CCCCN1CCC=C(C1)C 34a_100000725631_100000210210 [0,1,0,1,0,0|2,0,0]=4 8905 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,1,0,1,0,0|1,0,1]=4 8906 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,1,0,1,0,0|1,0,1]=4 8907 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,1,0,1,0,0|1,0,1]=4 8908 B11R1.24 CN1CCCC(C1)CCCO 2230a_100150707839_200000210301 [0,1,0,1,0,0|1,0,1]=4 8909 B11R1.24 CN1CCCC(C1)CCCO 269982a_100150707839_200000210301 [0,1,0,1,0,0|1,0,1]=4 8910 B11R1.24 CN1CCCC(C1)CCCO 34a_100150707839_200000210301 [0,1,0,1,0,0|1,0,1]=4 8911 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,1,0,1,0,0|2,0,0]=4 8912 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,1,0,1,0,0|2,0,0]=4 8913 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,1,0,0|1,0,1]=4 8914 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,1,0,1,0,0|2,0,0]=4 8915 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,1,0,0|2,0,0]=4 8916 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,1,0,1,0,0|2,0,0]=4 8917 B11R1.24 [13CH3]N1CCCC(C1)CCCO 2230a_100150707839_200025704644 [0,1,0,1,0,0|1,0,1]=4 8918 B11R1.24 [13CH3]N1CCCC(C1)CCCO 269982a_100150707839_200025704644 [0,1,0,1,0,0|1,0,1]=4 8919 B11R1.24 [13CH3]N1CCCC(C1)CCCO 34a_100150707839_200025704644 [0,1,0,1,0,0|1,0,1]=4 8920 B11R1.30 CC#CC(=O)CC1CCCO1 1458a_100000763181_100000203698 [0,1,0,1,0,0|0,0,2]=4 8921 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,1,0,1,0,0|1,0,1]=4 8922 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [0,1,0,1,0,0|0,0,1]=3 8923 B11R1.30 CC=CC(=O)CC1OCCO1 1458a_100000210699_100000755774 [0,1,0,1,0,0|1,0,1]=4 8924 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,1,0,1,0,0|1,0,1]=4 8925 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,1,0,1,0,0|1,0,1]=4 8926 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,1,0,1,0,0|1,0,1]=4 8927 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,1,0,1,0,0|0,0,1]=3 8928 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,1,0,1,0,0|1,0,1]=4 8929 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000226859_200000210301 [0,1,0,1,0,0|1,0,1]=4 8930 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000747261_100000203698 [0,1,0,1,0,0|1,0,1]=4 8931 B11R1.30 CCCN(C)CC1CCCO1 2230a_100102946541_100000210303 [0,1,0,1,0,0|1,0,1]=4 8932 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000226859_200000210301 [0,1,0,1,0,0|1,0,1]=4 8933 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000747261_100000183445 [0,1,0,1,0,0|1,0,1]=4 8934 B11R1.30 CCCN(C)CC1CCCO1 269982a_100102946541_100000210303 [0,1,0,1,0,0|1,0,1]=4 8935 B11R1.30 CCCN(C)CC1CCCO1 34a_100000226859_200000210301 [0,1,0,1,0,0|1,0,1]=4 8936 B11R1.30 CCCN(C)CC1CCCO1 34a_100102946541_100000210303 [0,1,0,1,0,0|1,0,1]=4 8937 B11R1.30 CCCN([13CH3])CC1CCCO1 2230a_100000226859_200025704644 [0,1,0,1,0,0|1,0,1]=4 8938 B11R1.30 CCCN([13CH3])CC1CCCO1 269982a_100000226859_200025704644 [0,1,0,1,0,0|1,0,1]=4 8939 B11R1.30 CCCN([13CH3])CC1CCCO1 34a_100000226859_200025704644 [0,1,0,1,0,0|1,0,1]=4 8940 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,1,0,1,0,0|2,0,0]=4 8941 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,1,0,1,0,0|2,0,0]=4 8942 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,1,0,1,0,0|2,0,0]=4 8943 B11R1.30 CCNC(C)CC1C=CCC1 270004a_100015525214_100000116859 [0,1,0,1,0,0|2,0,0]=4 8944 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,1,0,1,0,0|1,0,1]=4 8945 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,1,0,1,0,0|1,0,1]=4 8946 B11R1.30 O=C(C=CBr)CC1CCCO1 1458a_100016273825_100000203698 [0,1,0,1,0,0|1,0,1]=4 8947 B11R1.30 O=C(C=CCl)CC1CCCO1 1458a_200016279998_100000203698 [0,1,0,1,0,0|1,0,1]=4 8948 B11R1.30 O=C(C=CI)CC1CCCO1 1458a_100016256311_100000203698 [0,1,0,1,0,0|1,0,1]=4 8949 B11R1.30 O=C(CCF)CC1C=CCC1 1458a_100000212241_100011217306 [0,1,0,1,0,0|1,0,1]=4 8950 B11R1.30 O=C(CCO)CC1C=CCC1 1458a_100000212241_100000211926 [0,1,0,1,0,0|0,0,1]=3 8951 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,1,0,1,0,0|1,0,1]=4 8952 B11R1.78 CC/C=C\CCN1CC(C1)C 2230a_100000702820_100015370543 [0,1,0,1,0,0|2,0,0]=4 8953 B11R1.78 CC/C=C\CCN1CC(C1)C 269982a_100000702820_100015370543 [0,1,0,1,0,0|2,0,0]=4 8954 B11R1.78 CC/C=C\CCN1CC(C1)C 34a_100000702820_100015370543 [0,1,0,1,0,0|2,0,0]=4 8955 B11R1.78 CC/C=C\CCN1CC(C1)F 2230a_100000690557_100015370543 [0,1,0,1,0,0|2,0,0]=4 8956 B11R1.78 CC/C=C\CCN1CC(C1)F 269982a_100000690557_100015370543 [0,1,0,1,0,0|2,0,0]=4 8957 B11R1.78 CC/C=C\CCN1CC(C1)F 34a_100000690557_100015370543 [0,1,0,1,0,0|2,0,0]=4 8958 B11R1.78 CC/C=C\CCN1CC(C1)O 269982a_100000749847_100015370543 [0,1,0,1,0,0|1,0,0]=3 8959 B11R1.78 CC/C=C\CNC1CC(C1)F 2230a_100016993743_100103147603 [0,1,0,1,0,0|2,0,0]=4 8960 B11R1.78 CC/C=C\CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100103147603 [0,1,0,1,0,0|1,0,0]=3 8961 B11R1.78 CC1CN(C1)CCCCCO 2230a_100000702820_100000746330 [0,1,0,1,0,0|1,0,1]=4 8962 B11R1.78 CC1CN(C1)CCCCCO 269982a_100000702820_100000746330 [0,1,0,1,0,0|1,0,1]=4 8963 B11R1.78 CC1CN(C1)CCCCCO 34a_100000702820_100000746330 [0,1,0,1,0,0|1,0,1]=4 8964 B11R1.78 OCCCCCN1CC(C1)F 2230a_100000690557_100000746330 [0,1,0,1,0,0|1,0,1]=4 8965 B11R1.78 OCCCCCN1CC(C1)F 269982a_100000690557_100000746330 [0,1,0,1,0,0|1,0,1]=4 8966 B11R1.78 OCCCCCN1CC(C1)F 34a_100000690557_100000746330 [0,1,0,1,0,0|1,0,1]=4 8967 B11R1.78 OCCCCCN1CC(C1)O 269982a_100000749847_100000746330 [0,1,0,1,0,0|1,0,1]=4 8968 B11R1.81 CNCC1CCC(=CC1C)C 269862a_106832991636_100000075207 [0,1,0,1,0,0|2,0,0]=4 8969 B11R1.110 CCCN1CCCCC(C1)O 2230a_100025706797_100000210303 [0,1,0,1,0,0|1,0,1]=4 8970 B11R1.110 CCCN1CCCCC(C1)O 269982a_100025706797_100000210303 [0,1,0,1,0,0|1,0,1]=4 8971 B11R1.117 CCOC1CC/C=C\CCC1 34a_100016989180_100000210202 [0,1,0,1,0,0|1,0,0]=3 8972 B11R1.117 CCOC1CC/C=C\CCC1 34a_100121572206_100021000466 [0,1,0,1,0,0|1,0,0]=3 8973 B11R1.117 CCSC1CC/C=C\CCC1 62a_100000210202_100021000466 [0,1,0,1,0,0|1,0,0]=3 8974 B11R1.117 CCSC1CC/C=C\CCC1 62a_100021000466_100000210202 [0,1,0,1,0,0|1,0,0]=3 8975 B11R1.117 CNCC1CC/C=C\CCC1 2230a_100102730862_200000210301 [0,1,0,1,0,0|1,0,0]=3 8976 B11R1.117 CNCC1CC/C=C\CCC1 34a_100102730862_200000210301 [0,1,0,1,0,0|1,0,0]=3 8977 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,1,0,1,0,0|0,0,2]=4 8978 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,1,0,1,0,0|0,0,2]=4 8979 B11R1.117 FCOC1CC/C=C\CCC1 34a_100016989180_100015361967 [0,1,0,1,0,0|1,0,0]=3 8980 B11R1.117 FCSC1CC/C=C\CCC1 62a_100015361967_100021000466 [0,1,0,1,0,0|1,0,0]=3 8981 B11R1.117 FCSC1CC/C=C\CCC1 62a_100021000466_100015361967 [0,1,0,1,0,0|1,0,0]=3 8982 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8983 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8984 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8985 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 2230a_100102730862_200025704644 [0,1,0,1,0,0|1,0,0]=3 8986 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 34a_100102730862_200025704644 [0,1,0,1,0,0|1,0,0]=3 8987 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,1,0,1,0,0|0,0,2]=4 8988 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,1,0,1,0,0|0,0,2]=4 8989 B11R1.127 CCCN1CCC(C1)CCO 2230a_100016987287_100000210303 [0,1,0,1,0,0|1,0,1]=4 8990 B11R1.127 CCCN1CCC(C1)CCO 269982a_100016987287_100000210303 [0,1,0,1,0,0|1,0,1]=4 8991 B11R1.127 CCCN1CCC(C1)CCO 34a_100016987287_100000210303 [0,1,0,1,0,0|1,0,1]=4 8992 B11R1.135 O=C1CCN(CCN1)CCO 2230a_100000698595_100000211926 [0,1,0,1,0,0|2,0,0]=4 8993 B11R1.135 O=C1CCN(CCN1)CCO 269982a_100000698595_100000211926 [0,1,0,1,0,0|2,0,0]=4 8994 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_100102629194_200016002552 [0,1,0,1,0,0|0,0,2]=4 8995 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_200016002552_100102629194 [0,1,0,1,0,0|0,0,2]=4 8996 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 2230a_100020605311_100103147603 [0,1,0,1,0,0|1,0,0]=3 8997 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 269982a_100020605311_100103147603 [0,1,0,1,0,0|1,0,0]=3 8998 B11R1.180 CC/C=C\CN1CCC[C@H]1C 2230a_100015189458_100103147603 [0,1,0,1,0,0|1,0,0]=3 8999 B11R1.180 CC/C=C\CN1CCC[C@H]1C 269982a_100015189458_100103147603 [0,1,0,1,0,0|1,0,0]=3 9000 B11R1.180 CC/C=C\CN1CCC[C@H]1C 34a_100015189458_100103147603 [0,1,0,1,0,0|1,0,0]=3 9001 B11R1.180 CC/C=C\CN1CCSC1C 2230a_200011216479_100103147603 [0,1,0,1,0,0|2,0,0]=4 9002 B11R1.180 CC/C=C\CN1CCSC1C 269982a_200011216479_100103147603 [0,1,0,1,0,0|2,0,0]=4 9003 B11R1.180 CC/C=C\CN1CCSC1C 34a_200011216479_100103147603 [0,1,0,1,0,0|2,0,0]=4 9004 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [0,1,0,1,0,0|0,0,2]=4 9005 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [0,1,0,1,0,0|0,0,2]=4 9006 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [0,1,0,1,0,0|0,0,2]=4 9007 B11R1.180 CC1OCCC1NCCCO 270004a_100000182051_100000691750 [0,1,0,1,0,0|1,0,1]=4 9008 B11R1.180 CC1SCCN1CCCCO 2230a_200011216479_100000210776 [0,1,0,1,0,0|1,0,1]=4 9009 B11R1.180 CC1SCCN1CCCCO 269982a_200011216479_100000210776 [0,1,0,1,0,0|1,0,1]=4 9010 B11R1.180 CC1SCCN1CCCCO 34a_200011216479_100011216708 [0,1,0,1,0,0|1,0,1]=4 9011 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_100000070051_200016002552 [0,1,0,1,0,0|0,0,2]=4 9012 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000070051 [0,1,0,1,0,0|0,0,2]=4 9013 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,1,0,1,0,0|0,0,2]=4 9014 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,1,0,1,0,0|0,0,2]=4 9015 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_100000739092_200016002552 [0,1,0,1,0,0|1,0,1]=4 9016 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000739092 [0,1,0,1,0,0|1,0,1]=4 9017 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_100000233755_200016002552 [0,1,0,1,0,0|1,0,1]=4 9018 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000233755 [0,1,0,1,0,0|1,0,1]=4 9019 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_100000212216_200016002552 [0,1,0,1,0,0|1,0,1]=4 9020 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000751147 [0,1,0,1,0,0|1,0,1]=4 9021 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [0,1,0,1,0,0|0,0,2]=4 9022 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [0,1,0,1,0,0|0,0,2]=4 9023 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [0,1,0,1,0,0|0,0,2]=4 9024 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCO 34a_200015306588_100000230001 [0,1,0,1,0,0|1,0,1]=4 9025 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [0,1,0,1,0,0|0,0,2]=4 9026 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [0,1,0,1,0,0|0,0,2]=4 9027 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|1,0,1]=4 9028 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,1,0,1,0,0|1,0,1]=4 9029 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,1,0,1,0,0|1,0,1]=4 9030 B11R1.180 O=C1NCCC1COCCO 34a_100000133458_100000211926 [0,1,0,1,0,0|2,0,0]=4 9031 B11R1.180 O=C1NCCC1NCCCO 2230a_100016995588_100000230001 [0,1,0,1,0,0|2,0,0]=4 9032 B11R1.180 O=C1NCCC1NCCCO 34a_100016995588_100000230001 [0,1,0,1,0,0|2,0,0]=4 9033 B11R1.180 O=C1NCC[C@@H]1OCCCO 34a_100000688343_100000230001 [0,1,0,1,0,0|2,0,0]=4 9034 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|2,0,0]=4 9035 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|2,0,0]=4 9036 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_100011215043_200016002552 [0,1,0,1,0,0|1,0,1]=4 9037 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215043 [0,1,0,1,0,0|1,0,1]=4 9038 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_100011934791_200016002552 [0,1,0,1,0,0|1,0,1]=4 9039 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_200016002552_100011934791 [0,1,0,1,0,0|1,0,1]=4 9040 B11R1.189 CCCN1CCCC(C1)CO 2230a_100000211344_100000210303 [0,1,0,1,0,0|1,0,1]=4 9041 B11R1.189 CCCN1CCCC(C1)CO 269982a_100000211344_100000210303 [0,1,0,1,0,0|1,0,1]=4 9042 B11R1.189 CCCN1CCCC(C1)CO 34a_100000211344_100000210303 [0,1,0,1,0,0|1,0,1]=4 9043 B11R1.189 CCN1CCCC(C1)CCO 2230a_100000752241_100000210202 [0,1,0,1,0,0|1,0,1]=4 9044 B11R1.189 CCN1CCCC(C1)CCO 269982a_100000752241_100000204670 [0,1,0,1,0,0|1,0,1]=4 9045 B11R1.189 CCN1CCCC(C1)CCO 34a_100000752241_100000210202 [0,1,0,1,0,0|1,0,1]=4 9046 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|1,0,1]=4 9047 B11R1.199 CCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000747261_200016002552 [0,1,0,1,0,0|1,0,1]=4 9048 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,1,0,1,0,0|2,0,0]=4 9049 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,1,0,1,0,0|2,0,0]=4 9050 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,1,0,1,0,0|2,0,0]=4 9051 B11R1.289 CC=CC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210699 [0,1,0,1,0,0|1,0,1]=4 9052 B11R1.289 CC=CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210699 [0,1,0,1,0,0|1,0,1]=4 9053 B11R1.289 CC=CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210699 [0,1,0,1,0,0|1,0,1]=4 9054 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,1,0,1,0,0|1,0,1]=4 9055 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,1,0,1,0,0|1,0,1]=4 9056 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,1,0,1,0,0|1,0,1]=4 9057 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,1,0,1,0,0|1,0,1]=4 9058 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 9059 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 9060 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 9061 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 9062 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 9063 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 9064 B11R1.290 CC#CC(=O)CCCC1CO1 1458a_100000763181_100000733510 [0,1,0,1,0,0|0,0,2]=4 9065 B11R1.290 CC=CC(=O)CCCC1CO1 1458a_100000210699_100000733510 [0,1,0,1,0,0|0,0,1]=3 9066 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,1,0,1,0,0|0,0,1]=3 9067 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,1,0,1,0,0|1,0,1]=4 9068 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,1,0,1,0,0|1,0,1]=4 9069 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,1,0,1,0,0|1,0,1]=4 9070 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,1,0,1,0,0|1,0,1]=4 9071 B11R1.290 CCCN(C)CCCC1CO1 2230a_100000747261_100000733510 [0,1,0,1,0,0|1,0,1]=4 9072 B11R1.290 CCCN(C)CCCC1CO1 269982a_100000747261_100000733510 [0,1,0,1,0,0|1,0,1]=4 9073 B11R1.290 CCNC(=O)CNCC1CO1 2230a_100016988866_100011216344 [0,1,0,1,0,0|2,0,0]=4 9074 B11R1.290 CCNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183381 [0,1,0,1,0,0|2,0,0]=4 9075 B11R1.290 CCNC(=O)CSCC1CO1 62a_100000183381_102125554688 [0,1,0,1,0,0|2,0,0]=4 9076 B11R1.290 CCNC(=O)CSCC1CO1 62a_102125554688_100000183381 [0,1,0,1,0,0|2,0,0]=4 9077 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000183381_100000745022 [0,1,0,1,0,0|2,0,0]=4 9078 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183381 [0,1,0,1,0,0|2,0,0]=4 9079 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [0,1,0,1,0,0|2,0,0]=4 9080 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [0,1,0,1,0,0|2,0,0]=4 9081 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [0,1,0,1,0,0|2,0,0]=4 9082 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [0,1,0,1,0,0|2,0,0]=4 9083 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [0,1,0,1,0,0|2,0,0]=4 9084 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,1,0,1,0,0|1,0,1]=4 9085 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,1,0,1,0,0|1,0,1]=4 9086 B11R1.290 O=C(C=CBr)CCCC1CO1 1458a_100016273825_100000733510 [0,1,0,1,0,0|1,0,1]=4 9087 B11R1.290 O=C(C=CCl)CCCC1CO1 1458a_200016279998_100000733510 [0,1,0,1,0,0|1,0,1]=4 9088 B11R1.290 O=C(C=CI)CCCC1CO1 1458a_100016256311_100000733510 [0,1,0,1,0,0|1,0,1]=4 9089 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,1,0,1,0,0|1,0,1]=4 9090 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [0,1,0,1,0,0|1,0,1]=4 9091 B11R1.356 CC/C=C\CCC(=O)C1CO1 1458a_100000701028_100015370543 [0,1,0,1,0,0|0,0,1]=3 9092 B11R1.356 CC/C=C\CCN(C)C1CC1 2230a_100000226674_100015370543 [0,1,0,1,0,0|2,0,0]=4 9093 B11R1.356 CC/C=C\CCN(C)C1CC1 269982a_100000226674_100015370543 [0,1,0,1,0,0|2,0,0]=4 9094 B11R1.356 CC/C=C\CNC(C)C1CC1 2230a_100000700016_100103147603 [0,1,0,1,0,0|2,0,0]=4 9095 B11R1.356 CC/C=C\CNC(C)C1CC1 34a_100000700016_100103147603 [0,1,0,1,0,0|2,0,0]=4 9096 B11R1.356 CC/C=C\COC(C)C1CC1 34a_100000744524_100103147603 [0,1,0,1,0,0|2,0,0]=4 9097 B11R1.356 CC/C=C\COC(C)C1CC1 7a_100000744524_100103147603 [0,1,0,1,0,0|2,0,0]=4 9098 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,1,0,1,0,0|1,0,1]=4 9099 B11R1.356 CN(CCCCCO)C1CC1 2230a_100000226674_100000746330 [0,1,0,1,0,0|1,0,1]=4 9100 B11R1.356 CN(CCCCCO)C1CC1 269982a_100000226674_100000746330 [0,1,0,1,0,0|1,0,1]=4 9101 B11R1.356 CN(CCCCCO)C1CC1 269982a_100000722520_100000211595 [0,1,0,1,0,0|1,0,1]=4 9102 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [0,1,0,1,0,0|1,0,1]=4 9103 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [0,1,0,1,0,0|0,0,1]=3 9104 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,1,0,1,0,0|1,0,1]=4 9105 B11R1.356 O=C(CCOCCO)C1CC1 1458a_100000210395_100011215305 [0,1,0,1,0,0|1,0,1]=4 9106 B11R1.356 O=C(COCCCO)C1CC1 34a_100000686663_100000230001 [0,1,0,1,0,0|1,0,1]=4 9107 B11R1.356 O=C(CSCCCO)C1CC1 62a_100000746382_100011215043 [0,1,0,1,0,0|1,0,1]=4 9108 B11R1.356 O=C(CSCCCO)C1CC1 62a_100011215043_100000746382 [0,1,0,1,0,0|1,0,1]=4 9109 B11R1.356 O=C(NCCCCO)C1CC1 240690a_100000750430_100000210395 [0,1,0,1,0,0|1,0,1]=4 9110 B11R1.356 O=C(NCCCCO)C1CC1 527a_100000750430_100000210395 [0,1,0,1,0,0|1,0,1]=4 9111 B11R1.899 CC/C=C\CNC1(CCC1)C 2230a_100000692455_100103147603 [0,1,0,1,0,0|2,0,0]=4 9112 B11R1.899 CC/C=C\CNC1(CCC1)C 34a_100000692455_100103147603 [0,1,0,1,0,0|2,0,0]=4 9113 B11R1.899 CC/C=C\COC1(CCC1)C 34a_100000759064_100103147603 [0,1,0,1,0,0|2,0,0]=4 9114 B11R1.899 CC/C=C\COC1(CCC1)C 7a_100000759064_100103147603 [0,1,0,1,0,0|2,0,0]=4 9115 B11R1.27 CC/C=C\CN1CCC(C1)O 2230a_100011215560_100103147603 [0,1,0,1,0,0|1,0,0]=3 9116 B11R1.27 CC/C=C\CN1CCC(C1)O 269982a_100011215560_100103147603 [0,1,0,1,0,0|1,0,0]=3 9117 B11R1.27 CC/C=C\CN1CC[C@@H](C1)F 2230a_100015203821_100103147603 [0,1,0,1,0,0|2,0,0]=4 9118 B11R1.27 CC/C=C\CN1CC[C@@H](C1)F 269982a_100015203821_100103147603 [0,1,0,1,0,0|2,0,0]=4 9119 B11R1.27 CC/C=C\CN1CC[C@@H](C1)F 34a_100015203821_100103147603 [0,1,0,1,0,0|2,0,0]=4 9120 B11R1.27 CC/C=C\CN1CC[C@H](C1)C 2230a_100016987628_100103147603 [0,1,0,1,0,0|2,0,0]=4 9121 B11R1.27 CC/C=C\CN1CC[C@H](C1)C 269982a_100016987628_100103147603 [0,1,0,1,0,0|2,0,0]=4 9122 B11R1.27 CC/C=C\CN1CC[C@H](C1)C 34a_100016987628_100103147603 [0,1,0,1,0,0|2,0,0]=4 9123 B11R1.27 CCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210303 [0,1,0,1,0,0|2,0,0]=4 9124 B11R1.27 N[C@H]1C=C[C@H](C1)COCCF 34a_100020646542_100011217306 [0,1,0,1,0,0|2,0,0]=4 9125 B11R1.27 N[C@H]1C=C[C@H](C1)COCCO 34a_100020646542_100000211926 [0,1,0,1,0,0|1,0,0]=3 9126 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,1,0,1,0,0|1,0,1]=4 9127 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,1,0,1,0,0|2,0,0]=4 9128 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,1,0,1,0,0|2,0,0]=4 9129 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,1,0,1,0,0|2,0,0]=4 9130 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,1,0,1,0,0|2,0,0]=4 9131 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,1,0,1,0,0|2,0,0]=4 9132 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,1,0,1,0,0|2,0,0]=4 9133 B11R1.46 CC/C=C\CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100015370543 [0,1,0,1,0,0|1,0,0]=3 9134 B11R1.46 CC/C=C\CCN[C@@H]1C[C@H]1F 2230a_100025746932_100015370543 [0,1,0,1,0,0|1,0,0]=3 9135 B11R1.46 CC/C=C\CCN[C@@H]1C[C@H]1F 34a_100025746932_100015370543 [0,1,0,1,0,0|1,0,0]=3 9136 B11R1.46 CC/C=C\COCC1CC1C 34a_100000744939_100103147603 [0,1,0,1,0,0|1,0,0]=3 9137 B11R1.46 CC/C=C\COCC1CC1C 7a_100000744939_100103147603 [0,1,0,1,0,0|1,0,0]=3 9138 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,1,0,1,0,0|0,0,2]=4 9139 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,1,0,1,0,0|0,0,2]=4 9140 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000746330 [0,1,0,1,0,0|1,0,1]=4 9141 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000746330 [0,1,0,1,0,0|1,0,1]=4 9142 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000746330 [0,1,0,1,0,0|1,0,1]=4 9143 B11R1.53 CC(C)N1CCCCC1CO 2230a_100000210821_100000210206 [0,1,0,1,0,0|1,0,1]=4 9144 B11R1.53 CC(C)N1CCCCC1CO 269982a_100000210821_100000210206 [0,1,0,1,0,0|1,0,1]=4 9145 B11R1.53 CC(C)N1CCCCC1CO 34a_100000210821_100000210206 [0,1,0,1,0,0|1,0,1]=4 9146 B11R1.57 CC(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000210760 [0,1,0,1,0,0|1,0,1]=4 9147 B11R1.57 CC(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000210624 [0,1,0,1,0,0|1,0,1]=4 9148 B11R1.57 CC(C)CN1CCC[C@@H]1CO 270004a_100000745186_100000210432 [0,1,0,1,0,0|1,0,1]=4 9149 B11R1.57 CC(C)CN1CCC[C@@H]1CO 34a_100000745186_100000210624 [0,1,0,1,0,0|1,0,1]=4 9150 B11R1.57 CC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011218427 [0,1,0,1,0,0|1,0,1]=4 9151 B11R1.57 CC(O)CN1CCC[C@@H]1CO 269982a_100000745186_100011218427 [0,1,0,1,0,0|1,0,1]=4 9152 B11R1.57 CC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011218427 [0,1,0,1,0,0|1,0,1]=4 9153 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 2230a_100000745186_100009817552 [0,1,0,1,0,0|1,0,1]=4 9154 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 269982a_100000745186_100009817552 [0,1,0,1,0,0|1,0,1]=4 9155 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 34a_100000745186_100009817552 [0,1,0,1,0,0|1,0,1]=4 9156 B11R1.86 CC(C)NC1CCCCC1O 34a_100138425928_100000038908 [0,1,0,1,0,0|1,0,1]=4 9157 B11R1.86 CC(C)OC1CCCCC1O 34a_100000212225_100000038908 [0,1,0,1,0,0|1,0,1]=4 9158 B11R1.86 CC(C)SC1CCCCC1O 62a_100000038908_100000210206 [0,1,0,1,0,0|1,0,1]=4 9159 B11R1.86 CC(C)SC1CCCCC1O 62a_100000210206_100000038908 [0,1,0,1,0,0|1,0,1]=4 9160 B11R1.90 CC(C)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100000210432 [0,1,0,1,0,0|1,0,1]=4 9161 B11R1.90 CC(C)CS[C@@H]1CCC[C@H]1O 62a_100000210624_200016002552 [0,1,0,1,0,0|1,0,1]=4 9162 B11R1.90 CC(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210760 [0,1,0,1,0,0|1,0,1]=4 9163 B11R1.90 CC(O)CS[C@@H]1CCC[C@H]1O 62a_100011218427_200016002552 [0,1,0,1,0,0|1,0,1]=4 9164 B11R1.90 CC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218427 [0,1,0,1,0,0|1,0,1]=4 9165 B11R1.90 C[C@@H](O)CS[C@@H]1CCC[C@H]1O 62a_100009817552_200016002552 [0,1,0,1,0,0|1,0,1]=4 9166 B11R1.90 C[C@@H](O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817552 [0,1,0,1,0,0|1,0,1]=4 9167 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,1,0,1,0,0|1,0,1]=4 9168 B11R1.91 CC(C)CCN1CC=CCC1 2230a_100000698166_100000210312 [0,1,0,1,0,0|2,0,0]=4 9169 B11R1.91 CC(C)CCN1CC=CCC1 269982a_100000698166_100000210312 [0,1,0,1,0,0|2,0,0]=4 9170 B11R1.91 CC(C)CCN1CC=CCC1 34a_100000698166_100000210312 [0,1,0,1,0,0|2,0,0]=4 9171 B11R1.91 CC(C)COC1CC=CCC1 34a_100000073881_100000210624 [0,1,0,1,0,0|2,0,0]=4 9172 B11R1.91 CC(C)COC1CCCCO1 34a_100000033831_100000210624 [0,1,0,1,0,0|1,0,1]=4 9173 B11R1.91 CC(C)NCC1CCCCO1 2230a_100000174945_100000210206 [0,1,0,1,0,0|1,0,1]=4 9174 B11R1.91 CC(C)NCC1CCCCO1 2230a_100138425928_100000211543 [0,1,0,1,0,0|1,0,1]=4 9175 B11R1.91 CC(C)NCC1CCCCO1 34a_100000174945_100000210206 [0,1,0,1,0,0|1,0,1]=4 9176 B11R1.91 CC(C)NCC1CCCCO1 34a_100138425928_100000211543 [0,1,0,1,0,0|1,0,1]=4 9177 B11R1.91 CC(C)OCC1CC=CCC1 34a_100000210713_100000210206 [0,1,0,1,0,0|2,0,0]=4 9178 B11R1.91 CC(C)OCC1CCCCO1 34a_100000211370_100000210206 [0,1,0,1,0,0|1,0,1]=4 9179 B11R1.91 CC(C)OCC1CCCCO1 34a_100000212225_100000211543 [0,1,0,1,0,0|1,0,1]=4 9180 B11R1.91 CC(C)OCC1CCCCO1 7a_100000211370_100000210206 [0,1,0,1,0,0|1,0,1]=4 9181 B11R1.91 CC(C)SCC1CCCCO1 62a_100000210206_100000211543 [0,1,0,1,0,0|1,0,1]=4 9182 B11R1.91 CC(C)SCC1CCCCO1 62a_100000211543_100000210206 [0,1,0,1,0,0|1,0,1]=4 9183 B11R1.91 CC(O)CCN1CC=CCC1 2230a_100000698166_100012276601 [0,1,0,1,0,0|1,0,0]=3 9184 B11R1.91 CC(O)CCN1CC=CCC1 269982a_100000698166_100012276601 [0,1,0,1,0,0|1,0,0]=3 9185 B11R1.91 CC(O)CCN1CC=CCC1 34a_100000698166_100012276601 [0,1,0,1,0,0|1,0,0]=3 9186 B11R1.91 CC(O)COC1CC=CCC1 34a_100000073881_100011218427 [0,1,0,1,0,0|1,0,0]=3 9187 B11R1.91 CC(O)COC1CCCCO1 34a_100000033831_100011218427 [0,1,0,1,0,0|1,0,1]=4 9188 B11R1.91 C[C@@H](O)COC1CC=CCC1 34a_100000073881_100009817552 [0,1,0,1,0,0|1,0,0]=3 9189 B11R1.91 C[C@@H](O)COC1CCCCO1 34a_100000033831_100009817552 [0,1,0,1,0,0|1,0,1]=4 9190 B11R1.91 FC(F)COC1CC=CCC1 34a_100000073881_100011934356 [0,1,0,1,0,0|2,0,0]=4 9191 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,1,0,1,0,0|1,0,1]=4 9192 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [0,1,0,1,0,0|1,0,1]=4 9193 B11R1.99 C/C=C/C=C/COCC1CO1 34a_100016283227_102125554688 [0,1,0,1,0,0|0,0,2]=4 9194 B11R1.99 C/C=C/CCOCCC1CO1 34a_100016278192_100000732470 [0,1,0,1,0,0|0,0,2]=4 9195 B11R1.99 C/C=C/COCCCC1CO1 34a_100016270725_100000733510 [0,1,0,1,0,0|0,0,2]=4 9196 B11R1.99 C/C=C/CSCCCC1CO1 62a_100000733510_100102629194 [0,1,0,1,0,0|0,0,2]=4 9197 B11R1.99 C/C=C/CSCCCC1CO1 62a_100102629194_100000733510 [0,1,0,1,0,0|0,0,2]=4 9198 B11R1.99 CC/C=C/CCCOC1CC1 34a_100016287902_100000211595 [0,1,0,1,0,0|1,0,0]=3 9199 B11R1.99 CC/C=C\CCNCC1CC1 2230a_100000735609_100015370543 [0,1,0,1,0,0|1,0,0]=3 9200 B11R1.99 CC/C=C\CCNCC1CC1 34a_100000735609_100015370543 [0,1,0,1,0,0|1,0,0]=3 9201 B11R1.99 CC/C=C\CCOCC1CC1 34a_100000211283_100015370543 [0,1,0,1,0,0|1,0,0]=3 9202 B11R1.99 CC/C=C\CCOCC1CC1 34a_100016288707_100000742324 [0,1,0,1,0,0|1,0,0]=3 9203 B11R1.99 CC/C=C\CCOCC1CC1 7a_100016288707_100000742324 [0,1,0,1,0,0|1,0,0]=3 9204 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [0,1,0,1,0,0|0,0,0]=2 9205 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [0,1,0,1,0,0|0,0,0]=2 9206 B11R1.99 CC/C=C\CCOCC1CS1 7a_100016288707_100000031435 [0,1,0,1,0,0|0,1,0]=3 9207 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [0,1,0,1,0,0|0,0,0]=2 9208 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [0,1,0,1,0,0|0,0,0]=2 9209 B11R1.99 CC/C=C\CCSCC1CC1 62a_100000756562_100015370543 [0,1,0,1,0,0|1,0,0]=3 9210 B11R1.99 CC/C=C\CCSCC1CC1 62a_100015370543_100000742324 [0,1,0,1,0,0|1,0,0]=3 9211 B11R1.99 CC/C=C\CCSCC1CO1 62a_100015370543_102125554688 [0,1,0,1,0,0|0,0,0]=2 9212 B11R1.99 CC/C=C\CCSCC1CO1 62a_102125554688_100015370543 [0,1,0,1,0,0|0,0,0]=2 9213 B11R1.99 CC/C=C\CCSCC1CS1 62a_100000031435_100015370543 [0,1,0,1,0,0|0,1,0]=3 9214 B11R1.99 CC/C=C\CCSCC1CS1 62a_100015370543_100000031435 [0,1,0,1,0,0|0,1,0]=3 9215 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100000745022_100015370543 [0,1,0,1,0,0|0,0,0]=2 9216 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100015370543_100000745022 [0,1,0,1,0,0|0,0,0]=2 9217 B11R1.99 CC/C=C\CNCCC1CC1 34a_100000764129_100103147603 [0,1,0,1,0,0|1,0,0]=3 9218 B11R1.99 CC/C=C\COCCC1CC1 34a_100000754188_100103147603 [0,1,0,1,0,0|1,0,0]=3 9219 B11R1.99 CC/C=C\COCCC1CC1 34a_100016268518_100000694398 [0,1,0,1,0,0|1,0,0]=3 9220 B11R1.99 CC/C=C\COCCC1CC1 7a_100000754188_100103147603 [0,1,0,1,0,0|1,0,0]=3 9221 B11R1.99 CC/C=C\COCCC1CO1 34a_100016268518_100000732470 [0,1,0,1,0,0|0,0,0]=2 9222 B11R1.99 CC/C=C\COCC[C@@H]1CO1 34a_100009820653_100103147603 [0,1,0,1,0,0|0,0,0]=2 9223 B11R1.99 CC/C=C\CSCCC1CC1 62a_100000764125_100103147603 [0,1,0,1,0,0|1,0,0]=3 9224 B11R1.99 CC/C=C\CSCCC1CC1 62a_100103147603_100000764125 [0,1,0,1,0,0|1,0,0]=3 9225 B11R1.99 CC/C=C\CSCCC1CO1 62a_100000732470_100103147603 [0,1,0,1,0,0|0,0,0]=2 9226 B11R1.99 CC/C=C\CSCCC1CO1 62a_100103147603_100000732470 [0,1,0,1,0,0|0,0,0]=2 9227 B11R1.99 CC=C=CCCOCC1CO1 34a_100011020354_102125554688 [0,1,0,1,0,0|0,0,2]=4 9228 B11R1.99 CC=CCCCOCC1CO1 34a_100020645299_102125554688 [0,1,0,1,0,0|0,0,2]=4 9229 B11R1.99 CC=CCSCCCC1CO1 62a_100000070051_100000733510 [0,1,0,1,0,0|0,0,2]=4 9230 B11R1.99 CC=CCSCCCC1CO1 62a_100000733510_100000070051 [0,1,0,1,0,0|0,0,2]=4 9231 B11R1.99 CCC#CCCOCC1CO1 34a_100000036655_102125554688 [0,1,0,1,0,0|0,0,2]=4 9232 B11R1.99 CCC#CCCOCC1CO1 7a_100000036655_102125554688 [0,1,0,1,0,0|0,0,2]=4 9233 B11R1.99 CCC#CCCOC[C@@H]1CO1 7a_100000036655_100000745022 [0,1,0,1,0,0|0,0,2]=4 9234 B11R1.99 CCC#CCOCCC1CO1 34a_100000032950_100000732470 [0,1,0,1,0,0|0,0,2]=4 9235 B11R1.99 CCC#CCOCC[C@@H]1CO1 34a_100009820653_100009813939 [0,1,0,1,0,0|0,0,2]=4 9236 B11R1.99 CCC#CCSCCC1CO1 62a_100000732470_100009813939 [0,1,0,1,0,0|0,0,2]=4 9237 B11R1.99 CCC#CCSCCC1CO1 62a_100009813939_100000732470 [0,1,0,1,0,0|0,0,2]=4 9238 B11R1.99 CCC/C=C/COCC1CC1 34a_100016278788_100000742324 [0,1,0,1,0,0|2,0,0]=4 9239 B11R1.99 CCC/C=C/COCC1CC1 7a_100016278788_100000742324 [0,1,0,1,0,0|2,0,0]=4 9240 B11R1.99 CCC/C=C/COCC1CO1 34a_100016278788_102125554688 [0,1,0,1,0,0|1,0,0]=3 9241 B11R1.99 CCC/C=C/COCC1CO1 7a_100016278788_102125554688 [0,1,0,1,0,0|1,0,0]=3 9242 B11R1.99 CCC/C=C/COCC1CS1 7a_100016278788_100000031435 [0,1,0,1,0,0|1,1,0]=4 9243 B11R1.99 CCC/C=C/COC[C@@H]1CO1 7a_100016278788_100000745022 [0,1,0,1,0,0|1,0,0]=3 9244 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,1,0,1,0,0|0,0,2]=4 9245 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,1,0,1,0,0|0,0,2]=4 9246 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,1,0,1,0,0|0,0,2]=4 9247 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,1,0,1,0,0|0,0,2]=4 9248 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,1,0,1,0,0|0,0,2]=4 9249 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,1,0,1,0,0|0,0,2]=4 9250 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,1,0,1,0,0|0,0,2]=4 9251 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,1,0,1,0,0|0,0,2]=4 9252 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,1,0,1,0,0|0,0,2]=4 9253 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,1,0,1,0,0|0,0,2]=4 9254 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,1,0,1,0,0|0,0,2]=4 9255 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,1,0,1,0,0|0,0,2]=4 9256 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,1,0,1,0,0|0,0,2]=4 9257 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,1,0,1,0,0|0,0,2]=4 9258 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,1,0,1,0,0|0,0,2]=4 9259 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,1,0,1,0,0|0,0,2]=4 9260 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,1,0,1,0,0|0,0,2]=4 9261 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,1,0,1,0,0|0,0,2]=4 9262 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,1,0,1,0,0|0,0,2]=4 9263 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,1,0,1,0,0|0,0,2]=4 9264 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,1,0,1,0,0|0,0,2]=4 9265 B11R1.99 CCCOCCNCC1CO1 2230a_100161115042_100011216344 [0,1,0,1,0,0|1,0,1]=4 9266 B11R1.99 CCCOCCNCC1CO1 34a_100161115042_102125554688 [0,1,0,1,0,0|1,0,1]=4 9267 B11R1.99 CCCOCCOCC1CO1 34a_100000752267_102125554688 [0,1,0,1,0,0|1,0,1]=4 9268 B11R1.99 CCCOCCOCC1CO1 7a_100000752267_102125554688 [0,1,0,1,0,0|1,0,1]=4 9269 B11R1.99 CCCOCCOC[C@@H]1CO1 34a_100000757423_100011215938 [0,1,0,1,0,0|1,0,1]=4 9270 B11R1.99 CCCOCCOC[C@@H]1CO1 7a_100000752267_100000745022 [0,1,0,1,0,0|1,0,1]=4 9271 B11R1.99 CCCOCCSCC1CO1 62a_100011215938_102125554688 [0,1,0,1,0,0|1,0,1]=4 9272 B11R1.99 CCCOCCSCC1CO1 62a_102125554688_100011215938 [0,1,0,1,0,0|1,0,1]=4 9273 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100000745022_100011215938 [0,1,0,1,0,0|1,0,1]=4 9274 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100011215938_100000745022 [0,1,0,1,0,0|1,0,1]=4 9275 B11R1.99 CCCSCCNCC1CO1 2230a_100020603323_100011216344 [0,1,0,1,0,0|1,0,1]=4 9276 B11R1.99 CCCSCCOCC1CO1 34a_200000230433_102125554688 [0,1,0,1,0,0|1,0,1]=4 9277 B11R1.99 CCCSCCOCC1CO1 7a_200000230433_102125554688 [0,1,0,1,0,0|1,0,1]=4 9278 B11R1.99 CCCSCCOC[C@@H]1CO1 7a_200000230433_100000745022 [0,1,0,1,0,0|1,0,1]=4 9279 B11R1.99 CCOCCCNCC1CO1 2230a_100000210961_100011216344 [0,1,0,1,0,0|1,0,1]=4 9280 B11R1.99 CCOCCCNCC1CO1 34a_100000210961_102125554688 [0,1,0,1,0,0|1,0,1]=4 9281 B11R1.99 CCOCCCOCC1CO1 34a_100000757476_102125554688 [0,1,0,1,0,0|1,0,1]=4 9282 B11R1.99 CCOCCCOCC1CO1 7a_100000757476_102125554688 [0,1,0,1,0,0|1,0,1]=4 9283 B11R1.99 CCOCCCOC[C@@H]1CO1 34a_100000757423_100012232248 [0,1,0,1,0,0|1,0,1]=4 9284 B11R1.99 CCOCCCOC[C@@H]1CO1 7a_100000757476_100000745022 [0,1,0,1,0,0|1,0,1]=4 9285 B11R1.99 CCOCCCSCC1CO1 62a_100012232248_102125554688 [0,1,0,1,0,0|1,0,1]=4 9286 B11R1.99 CCOCCCSCC1CO1 62a_102125554688_100012232248 [0,1,0,1,0,0|1,0,1]=4 9287 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100000745022_100012232248 [0,1,0,1,0,0|1,0,1]=4 9288 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100012232248_100000745022 [0,1,0,1,0,0|1,0,1]=4 9289 B11R1.99 CCOCCNCCC1CO1 2230a_102516460346_100000732470 [0,1,0,1,0,0|1,0,1]=4 9290 B11R1.99 CCOCCNCCC1CO1 34a_102516460346_100000732470 [0,1,0,1,0,0|1,0,1]=4 9291 B11R1.99 CCOCCOCCC1CO1 34a_100000210136_100000732470 [0,1,0,1,0,0|1,0,1]=4 9292 B11R1.99 CCOCCOCCC1CO1 7a_100000210136_100000732470 [0,1,0,1,0,0|1,0,1]=4 9293 B11R1.99 CCOCCOCC[C@@H]1CO1 34a_100009820653_100000210147 [0,1,0,1,0,0|1,0,1]=4 9294 B11R1.99 CCOCCSCCC1CO1 62a_100000210147_100000732470 [0,1,0,1,0,0|1,0,1]=4 9295 B11R1.99 CCOCCSCCC1CO1 62a_100000732470_100011215890 [0,1,0,1,0,0|1,0,1]=4 9296 B11R1.99 CCOCSCCCC1CO1 62a_100000733510_100000739092 [0,1,0,1,0,0|1,0,1]=4 9297 B11R1.99 CCOCSCCCC1CO1 62a_100000739092_100000733510 [0,1,0,1,0,0|1,0,1]=4 9298 B11R1.99 CCSCCCOCC1CO1 34a_100011216438_102125554688 [0,1,0,1,0,0|1,0,1]=4 9299 B11R1.99 CCSCCCOCC1CO1 7a_100011216438_102125554688 [0,1,0,1,0,0|1,0,1]=4 9300 B11R1.99 CCSCCCOC[C@@H]1CO1 7a_100011216438_100000745022 [0,1,0,1,0,0|1,0,1]=4 9301 B11R1.99 CCSCCNCCC1CO1 2230a_100000106463_100000732470 [0,1,0,1,0,0|1,0,1]=4 9302 B11R1.99 CCSCCOCCC1CO1 34a_100000212035_100000732470 [0,1,0,1,0,0|1,0,1]=4 9303 B11R1.99 CCSCCOCCC1CO1 7a_100000212035_100000732470 [0,1,0,1,0,0|1,0,1]=4 9304 B11R1.99 CCSCCOCC[C@@H]1CO1 34a_100009820653_100000757381 [0,1,0,1,0,0|1,0,1]=4 9305 B11R1.99 CCSCCSCCC1CO1 62a_100000732470_100000757381 [0,1,0,1,0,0|1,0,1]=4 9306 B11R1.99 CCSCCSCCC1CO1 62a_100000757381_100000732470 [0,1,0,1,0,0|1,0,1]=4 9307 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [0,1,0,1,0,0|1,0,1]=4 9308 B11R1.99 COCCNCCCC1CO1 2230a_100000209980_100000733510 [0,1,0,1,0,0|1,0,1]=4 9309 B11R1.99 COCCOCCCC1CO1 34a_100000210237_100000733510 [0,1,0,1,0,0|1,0,1]=4 9310 B11R1.99 COCCSCCCC1CO1 62a_100000233755_100000733510 [0,1,0,1,0,0|1,0,1]=4 9311 B11R1.99 COCCSCCCC1CO1 62a_100000733510_100000233755 [0,1,0,1,0,0|1,0,1]=4 9312 B11R1.99 CSCCNCCCC1CO1 2230a_100020590264_100000733510 [0,1,0,1,0,0|1,0,1]=4 9313 B11R1.99 CSCCOCCCC1CO1 34a_100000230434_100000733510 [0,1,0,1,0,0|1,0,1]=4 9314 B11R1.99 CSCCOCCCC1CO1 7a_100000230434_100000733510 [0,1,0,1,0,0|1,0,1]=4 9315 B11R1.99 CSCCSCCCC1CO1 62a_100000212216_100000733510 [0,1,0,1,0,0|1,0,1]=4 9316 B11R1.99 CSCCSCCCC1CO1 62a_100000733510_100000751147 [0,1,0,1,0,0|1,0,1]=4 9317 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [0,1,0,1,0,0|1,0,1]=4 9318 B11R1.99 FCCCNCCCC1CO1 2230a_100015189416_100000733510 [0,1,0,1,0,0|1,0,1]=4 9319 B11R1.99 FCCCNCCCC1CO1 34a_100015189416_100000733510 [0,1,0,1,0,0|1,0,1]=4 9320 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [0,1,0,1,0,0|1,0,1]=4 9321 B11R1.99 FCCCSCCCC1CO1 62a_100000733510_100011934791 [0,1,0,1,0,0|1,0,1]=4 9322 B11R1.99 FCCCSCCCC1CO1 62a_100011934791_100000733510 [0,1,0,1,0,0|1,0,1]=4 9323 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [0,1,0,1,0,0|1,0,1]=4 9324 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [0,1,0,1,0,0|0,0,2]=4 9325 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|0,0,2]=4 9326 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [0,1,0,1,0,0|0,0,2]=4 9327 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [0,1,0,1,0,0|0,0,2]=4 9328 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [0,1,0,1,0,0|0,0,2]=4 9329 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [0,1,0,1,0,0|0,0,2]=4 9330 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [0,1,0,1,0,0|0,0,2]=4 9331 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|0,0,2]=4 9332 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [0,1,0,1,0,0|1,0,1]=4 9333 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|1,0,1]=4 9334 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,1,0,1,0,0|0,0,2]=4 9335 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [0,1,0,1,0,0|1,0,1]=4 9336 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [0,1,0,1,0,0|0,0,2]=4 9337 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [0,1,0,1,0,0|0,0,2]=4 9338 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [0,1,0,1,0,0|1,0,1]=4 9339 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [0,1,0,1,0,0|1,0,1]=4 9340 B11R1.99 OCCCCCSCC1CS1 62a_100000031435_100000746330 [0,1,0,1,0,0|1,0,1]=4 9341 B11R1.99 OCCCCCSCC1CS1 62a_100000746330_100000031435 [0,1,0,1,0,0|1,0,1]=4 9342 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [0,1,0,1,0,0|1,0,1]=4 9343 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [0,1,0,1,0,0|1,0,1]=4 9344 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [0,1,0,1,0,0|0,0,2]=4 9345 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|0,0,2]=4 9346 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [0,1,0,1,0,0|0,0,2]=4 9347 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [0,1,0,1,0,0|0,0,2]=4 9348 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [0,1,0,1,0,0|0,0,2]=4 9349 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [0,1,0,1,0,0|0,0,2]=4 9350 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [0,1,0,1,0,0|0,0,2]=4 9351 B11R1.99 OCCCOCCNC1CC1 34a_100000738766_100000230001 [0,1,0,1,0,0|1,0,1]=4 9352 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [0,1,0,1,0,0|1,0,1]=4 9353 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [0,1,0,1,0,0|1,0,1]=4 9354 B11R1.172 CC(C)CNCC1CCCO1 2230a_100000210953_100000203698 [0,1,0,1,0,0|1,0,1]=4 9355 B11R1.172 CC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000210760 [0,1,0,1,0,0|1,0,1]=4 9356 B11R1.172 CC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000210432 [0,1,0,1,0,0|1,0,1]=4 9357 B11R1.172 CC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000210624 [0,1,0,1,0,0|1,0,1]=4 9358 B11R1.172 CC(C)COCC1CCCO1 34a_100000210270_100000210624 [0,1,0,1,0,0|1,0,1]=4 9359 B11R1.172 CC(C)COCC1CCCO1 7a_100000210270_100000210760 [0,1,0,1,0,0|1,0,1]=4 9360 B11R1.172 CC(C)CSCC1CCCO1 62a_100000203698_100000210760 [0,1,0,1,0,0|1,0,1]=4 9361 B11R1.172 CC(C)CSCC1CCCO1 62a_100000210624_100000203698 [0,1,0,1,0,0|1,0,1]=4 9362 B11R1.172 CC(O)CNCC1CCCO1 2230a_100000210904_100000203698 [0,1,0,1,0,0|1,0,1]=4 9363 B11R1.172 CC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218427 [0,1,0,1,0,0|1,0,1]=4 9364 B11R1.172 CC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218427 [0,1,0,1,0,0|1,0,1]=4 9365 B11R1.172 CC(O)COCC1CCCO1 34a_100000210270_100011218427 [0,1,0,1,0,0|1,0,1]=4 9366 B11R1.172 CC(O)COCC1CCCO1 7a_100000210270_100011218427 [0,1,0,1,0,0|1,0,1]=4 9367 B11R1.172 CC(O)CSCC1CCCO1 62a_100000203698_100011218427 [0,1,0,1,0,0|1,0,1]=4 9368 B11R1.172 CC(O)CSCC1CCCO1 62a_100011218427_100000203698 [0,1,0,1,0,0|1,0,1]=4 9369 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 2230a_100020590478_100009817552 [0,1,0,1,0,0|1,0,1]=4 9370 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 34a_100020590478_100009817552 [0,1,0,1,0,0|1,0,1]=4 9371 B11R1.172 C[C@@H](O)COCC1CCCO1 34a_100000210270_100009817552 [0,1,0,1,0,0|1,0,1]=4 9372 B11R1.172 C[C@@H](O)COCC1CCCO1 7a_100000210270_100009817552 [0,1,0,1,0,0|1,0,1]=4 9373 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100000203698_100009817552 [0,1,0,1,0,0|1,0,1]=4 9374 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100009817552_100000203698 [0,1,0,1,0,0|1,0,1]=4 9375 B11R1.176 CC(Br)COCCCC1CO1 34a_100012180447_100000733510 [0,1,0,1,0,0|1,0,1]=4 9376 B11R1.176 CC(C)CNCCCC1CO1 2230a_100000210953_100000733510 [0,1,0,1,0,0|1,0,1]=4 9377 B11R1.176 CC(C)CNCCCC1CO1 34a_100000210953_100000733510 [0,1,0,1,0,0|1,0,1]=4 9378 B11R1.176 CC(C)COCCCC1CO1 34a_100000210257_100000733510 [0,1,0,1,0,0|1,0,1]=4 9379 B11R1.176 CC(C)CSCCCC1CO1 62a_100000210624_100000733510 [0,1,0,1,0,0|1,0,1]=4 9380 B11R1.176 CC(C)CSCCCC1CO1 62a_100000733510_100000210760 [0,1,0,1,0,0|1,0,1]=4 9381 B11R1.176 CC(F)COCCCC1CO1 34a_100015925927_100000733510 [0,1,0,1,0,0|1,0,1]=4 9382 B11R1.176 CC(O)CNCCCC1CO1 2230a_100000210904_100000733510 [0,1,0,1,0,0|1,0,1]=4 9383 B11R1.176 CC(O)CNCCCC1CO1 34a_100000210904_100000733510 [0,1,0,1,0,0|1,0,1]=4 9384 B11R1.176 CC(O)CSCCCC1CO1 62a_100000733510_100011218427 [0,1,0,1,0,0|1,0,1]=4 9385 B11R1.176 CC(O)CSCCCC1CO1 62a_100011218427_100000733510 [0,1,0,1,0,0|1,0,1]=4 9386 B11R1.176 C[C@@H](Cl)COCCCC1CO1 34a_100016084084_100000733510 [0,1,0,1,0,0|1,0,1]=4 9387 B11R1.176 C[C@@H](N)COCCCC1CO1 34a_100000737577_100000733510 [0,1,0,1,0,0|1,0,1]=4 9388 B11R1.176 C[C@@H](O)CSCCCC1CO1 62a_100000733510_100009817552 [0,1,0,1,0,0|1,0,1]=4 9389 B11R1.176 C[C@@H](O)CSCCCC1CO1 62a_100009817552_100000733510 [0,1,0,1,0,0|1,0,1]=4 9390 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210303 [0,1,0,1,0,0|1,0,1]=4 9391 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210303 [0,1,0,1,0,0|1,0,1]=4 9392 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|0,0,2]=4 9393 B11R1.706 CN(C)C1CC/C=C\CCC1 269982a_100102631434_100021000466 [0,1,0,1,0,0|2,0,0]=4 9394 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,1,0,1,0,0|1,0,1]=4 9395 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,1,0,1,0,0|1,0,1]=4 9396 B11R1.898 CC/C=C\CNC1CC1(F)F 2230a_100020610826_100103147603 [0,1,0,1,0,0|2,0,0]=4 9397 B11R1.898 CC/C=C\CNC1CC1(F)F 34a_100020610826_100103147603 [0,1,0,1,0,0|2,0,0]=4 9398 B11R1.17 CC1CC=CCC1COCF 34a_100000211322_100015361967 [0,1,0,1,0,0|2,0,0]=4 9399 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,1,0,1,0,0|0,0,2]=4 9400 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,1,0,1,0,0|0,0,2]=4 9401 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,1,0,1,0,0|0,0,2]=4 9402 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,1,0,1,0,0|0,0,2]=4 9403 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,1,0,1,0,0|0,0,2]=4 9404 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,1,0,1,0,0|0,0,2]=4 9405 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [0,1,0,1,0,0|0,0,2]=4 9406 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [0,1,0,1,0,0|0,0,2]=4 9407 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [0,1,0,1,0,0|0,0,2]=4 9408 B11R1.17 CC1CNCCC1NCCO 270004a_100000210304_100000703950 [0,1,0,1,0,0|1,0,1]=4 9409 B11R1.17 CC1CNCCC1OCCO 34a_100011998114_100000211926 [0,1,0,1,0,0|1,0,1]=4 9410 B11R1.17 CC1COCCC1NCCO 270004a_100000210304_100000755695 [0,1,0,1,0,0|1,0,1]=4 9411 B11R1.17 CCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210303 [0,1,0,1,0,0|1,0,1]=4 9412 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210303 [0,1,0,1,0,0|1,0,1]=4 9413 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,1,0,1,0,0|0,0,2]=4 9414 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,1,0,1,0,0|0,0,2]=4 9415 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,1,0,1,0,0|0,0,2]=4 9416 B11R1.17 CCNCC1CC=CCC1C 269862a_100015525214_100000117039 [0,1,0,1,0,0|2,0,0]=4 9417 B11R1.17 CCNCC1CC=CCC1C 270004a_100015525214_100000117039 [0,1,0,1,0,0|2,0,0]=4 9418 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,1,0,1,0,0|0,0,2]=4 9419 B11R1.17 CCNN=C1CCCCC1C 4a_100000756455_100000210921 [0,1,0,1,0,0|2,0,0]=4 9420 B11R1.17 CCNN=C1CCCCC1F 4a_100000756455_100000061856 [0,1,0,1,0,0|2,0,0]=4 9421 B11R1.17 CCNN=C1CCCCC1O 4a_100000756455_100011214950 [0,1,0,1,0,0|1,0,0]=3 9422 B11R1.17 CCOCC1CC=CCC1C 34a_100000211322_100000210202 [0,1,0,1,0,0|2,0,0]=4 9423 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 9424 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 9425 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 9426 B11R1.17 COCSC1CCCCC1O 62a_100000038908_100000766300 [0,1,0,1,0,0|1,0,1]=4 9427 B11R1.17 COCSC1CCCCC1O 62a_100000766300_100000038908 [0,1,0,1,0,0|1,0,1]=4 9428 B11R1.17 CSCSC1CCCCC1O 62a_100000038908_100011218213 [0,1,0,1,0,0|1,0,1]=4 9429 B11R1.17 CSCSC1CCCCC1O 62a_100011218213_100000038908 [0,1,0,1,0,0|1,0,1]=4 9430 B11R1.17 C[C@H]1COCCN1CCCO 2230a_100009815349_100000230001 [0,1,0,1,0,0|1,0,1]=4 9431 B11R1.17 C[C@H]1COCCN1CCCO 269982a_100009815349_100011215043 [0,1,0,1,0,0|1,0,1]=4 9432 B11R1.17 C[C@H]1COCCN1CCCO 34a_100009815349_100000230001 [0,1,0,1,0,0|1,0,1]=4 9433 B11R1.17 NCCOC1CCCCC1O 34a_100000210304_100000038908 [0,1,0,1,0,0|1,0,1]=4 9434 B11R1.17 OC1CCCCC1NCCF 34a_100000724931_100000038908 [0,1,0,1,0,0|1,0,1]=4 9435 B11R1.17 OC1CCCCC1OCCBr 34a_100000211926_100000038908 [0,1,0,1,0,0|1,0,1]=4 9436 B11R1.17 OC1CCCCC1SCCF 62a_100000038908_100011217306 [0,1,0,1,0,0|1,0,1]=4 9437 B11R1.17 OC1CCCCC1SCCF 62a_100011217306_100000038908 [0,1,0,1,0,0|1,0,1]=4 9438 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [0,1,0,1,0,0|1,0,1]=4 9439 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [0,1,0,1,0,0|1,0,1]=4 9440 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [0,1,0,1,0,0|1,0,1]=4 9441 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 9442 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 9443 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 9444 B11R1.18 C/C=C/CN1CCC[C@@H]1CO 269982a_100000745186_100102629194 [0,1,0,1,0,0|0,0,2]=4 9445 B11R1.18 C/C=C/CN1CCC[C@@H]1CO 34a_100000745186_100102629194 [0,1,0,1,0,0|0,0,2]=4 9446 B11R1.18 CC=CCN1CCC[C@@H]1CO 2230a_100000745186_100000070051 [0,1,0,1,0,0|0,0,2]=4 9447 B11R1.18 CC=CCN1CCC[C@@H]1CO 34a_100000745186_100000070051 [0,1,0,1,0,0|0,0,2]=4 9448 B11R1.18 CCC1C=CCN1CCCF 2230a_100000730860_100011934791 [0,1,0,1,0,0|2,0,0]=4 9449 B11R1.18 CCC1C=CCN1CCCF 269982a_100000730860_100011934791 [0,1,0,1,0,0|2,0,0]=4 9450 B11R1.18 CCC1C=CCN1CCCF 34a_100000730860_100011934791 [0,1,0,1,0,0|2,0,0]=4 9451 B11R1.18 CCC1C=CCN1CCCO 2230a_100000730860_100000230001 [0,1,0,1,0,0|1,0,0]=3 9452 B11R1.18 CCC1C=CCN1CCCO 269982a_100000730860_100011215043 [0,1,0,1,0,0|1,0,0]=3 9453 B11R1.18 CCC1C=CCN1CCCO 34a_100000730860_100000230001 [0,1,0,1,0,0|1,0,0]=3 9454 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [0,1,0,1,0,0|0,0,2]=4 9455 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [0,1,0,1,0,0|0,0,2]=4 9456 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [0,1,0,1,0,0|0,0,2]=4 9457 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [0,1,0,1,0,0|0,0,2]=4 9458 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [0,1,0,1,0,0|0,0,2]=4 9459 B11R1.18 CCCCN1CC=CC1CC 2230a_100000730860_100000210211 [0,1,0,1,0,0|2,0,0]=4 9460 B11R1.18 CCCCN1CC=CC1CC 269982a_100000730860_100000210211 [0,1,0,1,0,0|2,0,0]=4 9461 B11R1.18 CCCCN1CC=CC1CC 34a_100000730860_100000210210 [0,1,0,1,0,0|2,0,0]=4 9462 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [0,1,0,1,0,0|0,0,2]=4 9463 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [0,1,0,1,0,0|0,0,2]=4 9464 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [0,1,0,1,0,0|0,0,2]=4 9465 B11R1.18 CCNN=C1CCCC1CC 4a_100000756455_100000749056 [0,1,0,1,0,0|2,0,0]=4 9466 B11R1.18 CCOCN1CCC[C@@H]1CO 269982a_100000745186_100000739092 [0,1,0,1,0,0|1,0,1]=4 9467 B11R1.18 COCCN1CCC[C@@H]1CO 2230a_100000745186_100011201679 [0,1,0,1,0,0|1,0,1]=4 9468 B11R1.18 COCCN1CCC[C@@H]1CO 269982a_100000745186_100000233755 [0,1,0,1,0,0|1,0,1]=4 9469 B11R1.18 COCCN1CCC[C@@H]1CO 34a_100000745186_100011201679 [0,1,0,1,0,0|1,0,1]=4 9470 B11R1.18 CSCCN1CCC[C@@H]1CO 2230a_100000745186_100000751147 [0,1,0,1,0,0|1,0,1]=4 9471 B11R1.18 CSCCN1CCC[C@@H]1CO 269982a_100000745186_100000212216 [0,1,0,1,0,0|1,0,1]=4 9472 B11R1.18 CSCCN1CCC[C@@H]1CO 34a_100000745186_100000212216 [0,1,0,1,0,0|1,0,1]=4 9473 B11R1.18 OCCCN1CCC[C@@H]1CO 2230a_100000745186_100000230001 [0,1,0,1,0,0|1,0,1]=4 9474 B11R1.18 OCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215043 [0,1,0,1,0,0|1,0,1]=4 9475 B11R1.18 OCCCN1CCC[C@@H]1CO 34a_100000745186_100000230001 [0,1,0,1,0,0|1,0,1]=4 9476 B11R1.18 OC[C@H]1CCCN1CCCF 2230a_100000745186_100011934791 [0,1,0,1,0,0|1,0,1]=4 9477 B11R1.18 OC[C@H]1CCCN1CCCF 269982a_100000745186_100011934791 [0,1,0,1,0,0|1,0,1]=4 9478 B11R1.18 OC[C@H]1CCCN1CCCF 34a_100000745186_100011934791 [0,1,0,1,0,0|1,0,1]=4 9479 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [0,1,0,1,0,0|1,0,1]=4 9480 B11R1.28 C#CCCCN1CC=CCC1 2230a_100000698166_100000731252 [0,1,0,1,0,0|1,0,1]=4 9481 B11R1.28 C#CCCCN1CC=CCC1 269982a_100000698166_100011215417 [0,1,0,1,0,0|1,0,1]=4 9482 B11R1.28 C#CCCCN1CC=CCC1 34a_100000698166_100000695029 [0,1,0,1,0,0|1,0,1]=4 9483 B11R1.28 C#CCCOC1CC=CCC1 34a_100000073881_100000688953 [0,1,0,1,0,0|1,0,1]=4 9484 B11R1.28 C#CCOCC1CC=CCC1 34a_100000210713_100000184674 [0,1,0,1,0,0|1,0,1]=4 9485 B11R1.28 C/C=C/COC1CCCCO1 34a_100000033831_100102629194 [0,1,0,1,0,0|0,0,2]=4 9486 B11R1.28 C=CCCCN1CC=CCC1 2230a_100000698166_100011713584 [0,1,0,1,0,0|1,0,1]=4 9487 B11R1.28 C=CCCCN1CC=CCC1 269982a_100000698166_100000757094 [0,1,0,1,0,0|1,0,1]=4 9488 B11R1.28 C=CCCCN1CC=CCC1 34a_100000698166_100000757094 [0,1,0,1,0,0|1,0,1]=4 9489 B11R1.28 C=CCCOC1CC=CCC1 34a_100000073881_100000754431 [0,1,0,1,0,0|1,0,1]=4 9490 B11R1.28 C=CCNCC1CC=CCC1 270004a_100020586998_100000189434 [0,1,0,1,0,0|1,0,1]=4 9491 B11R1.28 C=CCOCC1CC=CCC1 34a_100000210713_100015514636 [0,1,0,1,0,0|1,0,1]=4 9492 B11R1.28 CC/C=C\CN1CCCOC1 2230a_100000131196_100103147603 [0,1,0,1,0,0|1,0,0]=3 9493 B11R1.28 CC/C=C\CN1CCCOC1 269982a_100000131196_100103147603 [0,1,0,1,0,0|1,0,0]=3 9494 B11R1.28 CC/C=C\CN1CCCOC1 34a_100000131196_100103147603 [0,1,0,1,0,0|1,0,0]=3 9495 B11R1.28 CC/C=C\CN1CCOCC1 2230a_100015191051_100103147603 [0,1,0,1,0,0|2,0,0]=4 9496 B11R1.28 CC/C=C\CN1CCOCC1 269982a_100015191051_100103147603 [0,1,0,1,0,0|2,0,0]=4 9497 B11R1.28 CC/C=C\CN1CCOCC1 34a_100015191051_100103147603 [0,1,0,1,0,0|2,0,0]=4 9498 B11R1.28 CC/C=C\CN1CCSCC1 2230a_100000737611_100103147603 [0,1,0,1,0,0|2,0,0]=4 9499 B11R1.28 CC/C=C\CN1CCSCC1 269982a_100000737611_100103147603 [0,1,0,1,0,0|2,0,0]=4 9500 B11R1.28 CC=CCOC1CCCCO1 34a_100000033831_100000070051 [0,1,0,1,0,0|0,0,2]=4 9501 B11R1.28 CCC=NNC1CCCCC1 4a_100000709804_100000210100 [0,1,0,1,0,0|2,0,0]=4 9502 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,1,0,1,0,0|1,0,0]=3 9503 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,1,0,1,0,0|1,0,0]=3 9504 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,1,0,1,0,0|1,0,0]=3 9505 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [0,1,0,1,0,0|2,0,0]=4 9506 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [0,1,0,1,0,0|2,0,0]=4 9507 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [0,1,0,1,0,0|2,0,0]=4 9508 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [0,1,0,1,0,0|2,0,0]=4 9509 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [0,1,0,1,0,0|1,0,0]=3 9510 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,1,0,1,0,0|0,0,2]=4 9511 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [0,1,0,1,0,0|2,0,0]=4 9512 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [0,1,0,1,0,0|2,0,0]=4 9513 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [0,1,0,1,0,0|1,0,0]=3 9514 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [0,1,0,1,0,0|0,0,2]=4 9515 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [0,1,0,1,0,0|0,0,2]=4 9516 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [0,1,0,1,0,0|1,0,1]=4 9517 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [0,1,0,1,0,0|1,0,1]=4 9518 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [0,1,0,1,0,0|1,0,1]=4 9519 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [0,1,0,1,0,0|1,0,1]=4 9520 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [0,1,0,1,0,0|1,0,0]=3 9521 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,1,0,1,0,0|2,0,0]=4 9522 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,1,0,1,0,0|0,0,2]=4 9523 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,1,0,1,0,0|0,0,2]=4 9524 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,1,0,1,0,0|0,0,2]=4 9525 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [0,1,0,1,0,0|1,0,1]=4 9526 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [0,1,0,1,0,0|1,0,1]=4 9527 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [0,1,0,1,0,0|1,0,1]=4 9528 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [0,1,0,1,0,0|1,0,1]=4 9529 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [0,1,0,1,0,0|0,0,2]=4 9530 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [0,1,0,1,0,0|0,0,2]=4 9531 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [0,1,0,1,0,0|1,0,1]=4 9532 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [0,1,0,1,0,0|1,0,1]=4 9533 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,1,0,1,0,0|0,0,2]=4 9534 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,1,0,1,0,0|0,0,2]=4 9535 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [0,1,0,1,0,0|1,0,1]=4 9536 B11R1.28 CCNN=CC1CCCCC1 4a_100000756455_100000211278 [0,1,0,1,0,0|2,0,0]=4 9537 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [0,1,0,1,0,0|1,0,1]=4 9538 B11R1.28 CCOCCN1CC=CCC1 2230a_100000698166_100011215890 [0,1,0,1,0,0|2,0,0]=4 9539 B11R1.28 CCOCCN1CC=CCC1 269982a_100000698166_100011215890 [0,1,0,1,0,0|2,0,0]=4 9540 B11R1.28 CCOCCN1CC=CCC1 34a_100000698166_100000210147 [0,1,0,1,0,0|2,0,0]=4 9541 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [0,1,0,1,0,0|1,0,1]=4 9542 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [0,1,0,1,0,0|1,0,1]=4 9543 B11R1.28 CCSCCN1CC=CCC1 2230a_100000698166_100000757381 [0,1,0,1,0,0|2,0,0]=4 9544 B11R1.28 CCSCCN1CC=CCC1 269982a_100000698166_100000757381 [0,1,0,1,0,0|2,0,0]=4 9545 B11R1.28 CCSCCN1CC=CCC1 34a_100000698166_100000757381 [0,1,0,1,0,0|2,0,0]=4 9546 B11R1.28 CNCCOC1CCCCO1 2230a_106832991635_100000744793 [0,1,0,1,0,0|1,0,1]=4 9547 B11R1.28 CNCCOC1CCCCO1 34a_100102657272_100000744793 [0,1,0,1,0,0|1,0,1]=4 9548 B11R1.28 CNCCOC1CCCCO1 7a_106832991635_100000744793 [0,1,0,1,0,0|1,0,1]=4 9549 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,1,0,1,0,0|0,0,2]=4 9550 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [0,1,0,1,0,0|0,0,2]=4 9551 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [0,1,0,1,0,0|0,0,2]=4 9552 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [0,1,0,1,0,0|0,0,2]=4 9553 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [0,1,0,1,0,0|1,0,1]=4 9554 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [0,1,0,1,0,0|1,0,1]=4 9555 B11R1.28 COCCCN1CC=CCC1 2230a_100000698166_100000740836 [0,1,0,1,0,0|1,0,0]=3 9556 B11R1.28 COCCCN1CC=CCC1 269982a_100000698166_100000740836 [0,1,0,1,0,0|1,0,0]=3 9557 B11R1.28 COCCCN1CC=CCC1 34a_100000698166_100000740836 [0,1,0,1,0,0|1,0,0]=3 9558 B11R1.28 COCCOC1CC=CCC1 34a_100000073881_100011201679 [0,1,0,1,0,0|1,0,0]=3 9559 B11R1.28 COCCOC1CCCCO1 34a_100000033831_100011201679 [0,1,0,1,0,0|1,0,1]=4 9560 B11R1.28 COCCOC1CCCCO1 34a_100000034223_200000210301 [0,1,0,1,0,0|1,0,1]=4 9561 B11R1.28 COCCOC1CCCCO1 34a_100138415774_100000744793 [0,1,0,1,0,0|1,0,1]=4 9562 B11R1.28 COCCOC1CCCCO1 7a_100000034223_200000210301 [0,1,0,1,0,0|1,0,1]=4 9563 B11R1.28 COCNCC1CCCCO1 2230a_100000174945_100000766300 [0,1,0,1,0,0|1,0,1]=4 9564 B11R1.28 COCSCC1CCCCO1 62a_100000211543_100000766300 [0,1,0,1,0,0|1,0,1]=4 9565 B11R1.28 COCSCC1CCCCO1 62a_100000766300_100000211543 [0,1,0,1,0,0|1,0,1]=4 9566 B11R1.28 CSCCOC1CC=CCC1 34a_100000073881_100000212216 [0,1,0,1,0,0|1,1,0]=4 9567 B11R1.28 CSCCOC1CCCCO1 34a_100000033831_100000212216 [0,1,0,1,0,0|1,0,1]=4 9568 B11R1.28 CSCCOC1CCCCO1 62a_100000744793_200000210301 [0,1,0,1,0,0|1,0,1]=4 9569 B11R1.28 CSCCOC1CCCCO1 62a_200000210301_100000744793 [0,1,0,1,0,0|1,0,1]=4 9570 B11R1.28 CSCNCC1CCCCO1 2230a_100000174945_100011218213 [0,1,0,1,0,0|1,0,1]=4 9571 B11R1.28 CSCNCC1CCCCO1 34a_100000174945_100011218213 [0,1,0,1,0,0|1,0,1]=4 9572 B11R1.28 CSCOCC1CC=CCC1 34a_100000210713_100011218213 [0,1,0,1,0,0|1,1,0]=4 9573 B11R1.28 CSCOCC1CCCCO1 34a_100000211370_100011218213 [0,1,0,1,0,0|1,0,1]=4 9574 B11R1.28 CSCSCC1CCCCO1 62a_100000211543_100011218213 [0,1,0,1,0,0|1,0,1]=4 9575 B11R1.28 CSCSCC1CCCCO1 62a_100011218213_100000211543 [0,1,0,1,0,0|1,0,1]=4 9576 B11R1.28 FCCCCN1CC=CCC1 2230a_100000698166_100000729493 [0,1,0,1,0,0|1,0,0]=3 9577 B11R1.28 FCCCCN1CC=CCC1 269982a_100000698166_100000729493 [0,1,0,1,0,0|1,0,0]=3 9578 B11R1.28 FCCCCN1CC=CCC1 34a_100000698166_100000729493 [0,1,0,1,0,0|1,0,0]=3 9579 B11R1.28 FCCCNC1C=CCCC1 2230a_100015189416_100000751183 [0,1,0,1,0,0|2,0,0]=4 9580 B11R1.28 FCCCOC1C=CCCC1 34a_100011215024_100011934791 [0,1,0,1,0,0|2,0,0]=4 9581 B11R1.28 FCCCOC1CC=CCC1 34a_100000073881_100011934791 [0,1,0,1,0,0|1,0,0]=3 9582 B11R1.28 FCCCOC1CCCCO1 34a_100000033831_100011934791 [0,1,0,1,0,0|1,0,1]=4 9583 B11R1.28 FCCCSC1C=CCCC1 62a_100000751183_100011934791 [0,1,0,1,0,0|2,0,0]=4 9584 B11R1.28 FCCCSC1C=CCCC1 62a_100011934791_100000751183 [0,1,0,1,0,0|2,0,0]=4 9585 B11R1.28 FCCNCC1CCCCO1 2230a_100000174945_100011217306 [0,1,0,1,0,0|1,0,1]=4 9586 B11R1.28 FCCNCC1CCCCO1 34a_100000174945_100011217306 [0,1,0,1,0,0|1,0,1]=4 9587 B11R1.28 FCCNCC1CCCCO1 34a_100000724931_100000211543 [0,1,0,1,0,0|1,0,1]=4 9588 B11R1.28 FCCOCC1CC=CCC1 34a_100000210713_100011217306 [0,1,0,1,0,0|1,0,0]=3 9589 B11R1.28 FCCOCC1CCC=CO1 34a_100011217868_100011217306 [0,1,0,1,0,0|2,0,0]=4 9590 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [0,1,0,1,0,0|1,0,1]=4 9591 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [0,1,0,1,0,0|1,0,1]=4 9592 B11R1.28 FCCSCC1CCCCO1 62a_100000211543_100011217306 [0,1,0,1,0,0|1,0,1]=4 9593 B11R1.28 FCCSCC1CCCCO1 62a_100011217306_100000211543 [0,1,0,1,0,0|1,0,1]=4 9594 B11R1.28 N#CCCCN1CC=CCC1 2230a_100000698166_100000687738 [0,1,0,1,0,0|1,0,1]=4 9595 B11R1.28 N#CCCCN1CC=CCC1 269982a_100000698166_100000687738 [0,1,0,1,0,0|1,0,1]=4 9596 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [0,1,0,1,0,0|1,0,1]=4 9597 B11R1.28 O=CCCCN1CC=CCC1 2230a_100000698166_200011292268 [0,1,0,1,0,0|0,0,2]=4 9598 B11R1.28 O=CCCCN1CC=CCC1 269982a_100000698166_200011292268 [0,1,0,1,0,0|0,0,2]=4 9599 B11R1.28 O=CCOCC1CC=CCC1 34a_100000210713_200009817547 [0,1,0,1,0,0|0,0,2]=4 9600 B11R1.28 OCC#CCN1CC=CCC1 2230a_100000698166_200000047223 [0,1,0,1,0,0|0,0,2]=4 9601 B11R1.28 OCC#CCN1CC=CCC1 34a_100000698166_200000047223 [0,1,0,1,0,0|0,0,2]=4 9602 B11R1.28 OCCCCN1CC=CCC1 2230a_100000698166_100000210776 [0,1,0,1,0,0|0,0,0]=2 9603 B11R1.28 OCCCCN1CC=CCC1 269982a_100000698166_100000210776 [0,1,0,1,0,0|0,0,0]=2 9604 B11R1.28 OCCCCN1CC=CCC1 34a_100000698166_100011216708 [0,1,0,1,0,0|0,0,0]=2 9605 B11R1.28 OCCCCN1CCCOC1 2230a_100000131196_100000210776 [0,1,0,1,0,0|1,0,1]=4 9606 B11R1.28 OCCCCN1CCCOC1 269982a_100000131196_100000210776 [0,1,0,1,0,0|1,0,1]=4 9607 B11R1.28 OCCCCN1CCCOC1 34a_100000131196_100011216708 [0,1,0,1,0,0|1,0,1]=4 9608 B11R1.28 OCCCCN1CCOCC1 2230a_100015191051_100000210776 [0,1,0,1,0,0|1,0,1]=4 9609 B11R1.28 OCCCCN1CCOCC1 269982a_100015191051_100000210776 [0,1,0,1,0,0|1,0,1]=4 9610 B11R1.28 OCCCCN1CCOCC1 34a_100015191051_100011216708 [0,1,0,1,0,0|1,0,1]=4 9611 B11R1.28 OCCCCN1CCSCC1 2230a_100000737611_100000210776 [0,1,0,1,0,0|1,0,1]=4 9612 B11R1.28 OCCCCN1CCSCC1 269982a_100000737611_100000210776 [0,1,0,1,0,0|1,0,1]=4 9613 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [0,1,0,1,0,0|0,0,2]=4 9614 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [0,1,0,1,0,0|0,0,2]=4 9615 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [0,1,0,1,0,0|0,0,2]=4 9616 B11R1.28 OCCCNC1CCCOC1 2230a_100000719290_100000230001 [0,1,0,1,0,0|1,0,1]=4 9617 B11R1.28 OCCCNC1CCCOC1 270004a_100000182051_100000753404 [0,1,0,1,0,0|1,0,1]=4 9618 B11R1.28 OCCCNC1CCCOC1 34a_100000719290_100000230001 [0,1,0,1,0,0|1,0,1]=4 9619 B11R1.28 OCCCNC1CCCSC1 270004a_100000182051_100000057913 [0,1,0,1,0,0|1,0,1]=4 9620 B11R1.28 OCCCNC1CCNCC1 270004a_100000182051_100015192401 [0,1,0,1,0,0|1,0,1]=4 9621 B11R1.28 OCCCNC1CCOCC1 2230a_100000741149_100000230001 [0,1,0,1,0,0|1,0,1]=4 9622 B11R1.28 OCCCNC1CCOCC1 270004a_100000182051_100011217826 [0,1,0,1,0,0|1,0,1]=4 9623 B11R1.28 OCCCNC1CCOCC1 34a_100000741149_100000230001 [0,1,0,1,0,0|1,0,1]=4 9624 B11R1.28 OCCCNC1CCSCC1 2230a_100000748639_100000230001 [0,1,0,1,0,0|1,0,1]=4 9625 B11R1.28 OCCCNC1CCSCC1 270004a_100000182051_100000203788 [0,1,0,1,0,0|1,0,1]=4 9626 B11R1.28 OCCCNC1CCSCC1 34a_100000748639_100000230001 [0,1,0,1,0,0|1,0,1]=4 9627 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [0,1,0,1,0,0|1,0,0]=3 9628 B11R1.28 OCCCOC1CC=CCC1 34a_100000073881_100000230001 [0,1,0,1,0,0|0,0,0]=2 9629 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,1,0,1,0,0|0,0,2]=4 9630 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,1,0,1,0,0|0,0,2]=4 9631 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [0,1,0,1,0,0|1,0,1]=4 9632 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [0,1,0,1,0,0|1,0,1]=4 9633 B11R1.28 OCCCOC1CCCSC1 7a_100015962668_100011215043 [0,1,0,1,0,0|1,0,1]=4 9634 B11R1.28 OCCCOC1CCOCC1 34a_100000744328_100000230001 [0,1,0,1,0,0|1,0,1]=4 9635 B11R1.28 OCCCOC1CCSCC1 34a_100000731022_100000230001 [0,1,0,1,0,0|1,0,1]=4 9636 B11R1.28 OCCCOC1CCSCC1 7a_100000731022_100011215043 [0,1,0,1,0,0|1,0,1]=4 9637 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [0,1,0,1,0,0|1,0,0]=3 9638 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [0,1,0,1,0,0|1,0,0]=3 9639 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [0,1,0,1,0,0|0,0,2]=4 9640 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [0,1,0,1,0,0|0,0,2]=4 9641 B11R1.28 OCCCSC1CCCOC1 62a_100011215043_100000693364 [0,1,0,1,0,0|1,0,1]=4 9642 B11R1.28 OCCCSC1CCOCC1 62a_100011215043_100011324220 [0,1,0,1,0,0|1,0,1]=4 9643 B11R1.28 OCCCSC1CCSCC1 62a_100011215043_100000069128 [0,1,0,1,0,0|1,0,1]=4 9644 B11R1.28 OCCNCC1CC=CCC1 270004a_100000210304_100000189434 [0,1,0,1,0,0|0,0,0]=2 9645 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,1,0,1,0,0|0,0,2]=4 9646 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,1,0,1,0,0|0,0,2]=4 9647 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,1,0,1,0,0|0,0,2]=4 9648 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,1,0,1,0,0|0,0,2]=4 9649 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,1,0,1,0,0|0,0,2]=4 9650 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [0,1,0,1,0,0|1,0,1]=4 9651 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [0,1,0,1,0,0|1,0,1]=4 9652 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [0,1,0,1,0,0|1,0,1]=4 9653 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [0,1,0,1,0,0|1,0,1]=4 9654 B11R1.28 OCCNCC1CCCOC1 2230a_100000720124_100000211926 [0,1,0,1,0,0|1,0,1]=4 9655 B11R1.28 OCCNCC1CCCOC1 2230a_100016997473_100000741521 [0,1,0,1,0,0|1,0,1]=4 9656 B11R1.28 OCCNCC1CCCOC1 34a_100000720124_100000211926 [0,1,0,1,0,0|1,0,1]=4 9657 B11R1.28 OCCNCC1CCCOC1 34a_100016990907_100000741521 [0,1,0,1,0,0|1,0,1]=4 9658 B11R1.28 OCCNCC1CCOCC1 2230a_100000746373_100000211926 [0,1,0,1,0,0|1,0,1]=4 9659 B11R1.28 OCCNCC1CCOCC1 2230a_100016997473_100000754603 [0,1,0,1,0,0|1,0,1]=4 9660 B11R1.28 OCCNCC1CCOCC1 269862a_100000210304_100000749017 [0,1,0,1,0,0|1,0,1]=4 9661 B11R1.28 OCCNCC1CCOCC1 34a_100000746373_100000211926 [0,1,0,1,0,0|1,0,1]=4 9662 B11R1.28 OCCNCC1CCOCC1 34a_100016990907_100000754603 [0,1,0,1,0,0|1,0,1]=4 9663 B11R1.28 OCCNCC1CCSCC1 2230a_100015188806_100000211926 [0,1,0,1,0,0|1,0,1]=4 9664 B11R1.28 OCCNCC1CCSCC1 269862a_100000210304_100000067145 [0,1,0,1,0,0|1,0,1]=4 9665 B11R1.28 OCCNCC1CCSCC1 270004a_100000210304_100000067145 [0,1,0,1,0,0|1,0,1]=4 9666 B11R1.28 OCCNCC1CCSCC1 34a_100015188806_100000211926 [0,1,0,1,0,0|1,0,1]=4 9667 B11R1.28 OCCOCC1CC=CCC1 34a_100000210713_100000211926 [0,1,0,1,0,0|0,0,0]=2 9668 B11R1.28 OCCOCC1CCC=CO1 34a_100011217868_100000211926 [0,1,0,1,0,0|1,0,0]=3 9669 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,1,0,1,0,0|0,0,2]=4 9670 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,1,0,1,0,0|0,0,2]=4 9671 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [0,1,0,1,0,0|1,0,1]=4 9672 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [0,1,0,1,0,0|1,0,1]=4 9673 B11R1.28 OCCOCC1CCCNC1 34a_100000211344_100000211926 [0,1,0,1,0,0|1,0,1]=4 9674 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [0,1,0,1,0,0|1,0,1]=4 9675 B11R1.28 OCCOCC1CCNCC1 34a_100000738675_100000211926 [0,1,0,1,0,0|1,0,1]=4 9676 B11R1.28 OCCOCC1CCOCC1 34a_100000749013_100000211926 [0,1,0,1,0,0|1,0,1]=4 9677 B11R1.28 OCCOCC1CCSCC1 34a_100000070558_100000211926 [0,1,0,1,0,0|1,0,1]=4 9678 B11R1.28 OCCOCC1CCSCC1 7a_100000070558_100000211926 [0,1,0,1,0,0|1,0,1]=4 9679 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [0,1,0,1,0,0|0,0,2]=4 9680 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [0,1,0,1,0,0|0,0,2]=4 9681 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [0,1,0,1,0,0|1,0,1]=4 9682 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [0,1,0,1,0,0|1,0,1]=4 9683 B11R1.28 OCCSCC1CCCOC1 62a_100000211926_100000741521 [0,1,0,1,0,0|1,0,1]=4 9684 B11R1.28 OCCSCC1CCCOC1 62a_100000741521_100000211926 [0,1,0,1,0,0|1,0,1]=4 9685 B11R1.28 OCCSCC1CCOCC1 62a_100000211926_100000749018 [0,1,0,1,0,0|1,0,1]=4 9686 B11R1.28 OCCSCC1CCOCC1 62a_100000754603_100000211926 [0,1,0,1,0,0|1,0,1]=4 9687 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,1,0,1,0,0|0,0,2]=4 9688 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [0,1,0,1,0,0|0,0,2]=4 9689 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [0,1,0,1,0,0|0,0,2]=4 9690 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [0,1,0,1,0,0|1,0,1]=4 9691 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [0,1,0,1,0,0|1,0,1]=4 9692 B11R1.28 [13CH3]OCCOC1CCCCO1 34a_100000034223_200025704644 [0,1,0,1,0,0|1,0,1]=4 9693 B11R1.28 [13CH3]OCCOC1CCCCO1 7a_100000034223_200025704644 [0,1,0,1,0,0|1,0,1]=4 9694 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_100000744793_200025704644 [0,1,0,1,0,0|1,0,1]=4 9695 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_200025704644_100000744793 [0,1,0,1,0,0|1,0,1]=4 9696 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 9697 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 9698 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 9699 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,1,0,1,0,0|0,0,2]=4 9700 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,1,0,1,0,0|0,0,2]=4 9701 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,1,0,1,0,0|0,0,2]=4 9702 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,1,0,1,0,0|0,0,2]=4 9703 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 9704 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 9705 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 9706 B11R1.41 CCCN1CCOC[C@H]1CO 2230a_100000717676_100000210303 [0,1,0,1,0,0|1,0,1]=4 9707 B11R1.41 CCCN1CCOC[C@H]1CO 269982a_100000717676_100000210303 [0,1,0,1,0,0|1,0,1]=4 9708 B11R1.41 CCCN1CCOC[C@H]1CO 34a_100000717676_100000210303 [0,1,0,1,0,0|1,0,1]=4 9709 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [0,1,0,1,0,0|0,0,2]=4 9710 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [0,1,0,1,0,0|0,0,2]=4 9711 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [0,1,0,1,0,0|0,0,2]=4 9712 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [0,1,0,1,0,0|1,0,1]=4 9713 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [0,1,0,1,0,0|1,0,1]=4 9714 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [0,1,0,1,0,0|1,0,1]=4 9715 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [0,1,0,1,0,0|1,0,1]=4 9716 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [0,1,0,1,0,0|1,0,1]=4 9717 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [0,1,0,1,0,0|1,0,1]=4 9718 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [0,1,0,1,0,0|1,0,1]=4 9719 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,1,0,1,0,0|0,0,2]=4 9720 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [0,1,0,1,0,0|1,0,1]=4 9721 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [0,1,0,1,0,0|1,0,1]=4 9722 B11R1.41 CCNC1CCOCC1CO 2230a_214813039666_100000210202 [0,1,0,1,0,0|1,0,1]=4 9723 B11R1.41 CCNC1CCOCC1CO 34a_214813039666_100000210202 [0,1,0,1,0,0|1,0,1]=4 9724 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [0,1,0,1,0,0|1,0,1]=4 9725 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [0,1,0,1,0,0|1,0,1]=4 9726 B11R1.41 COCN1CCCCC1CO 2230a_100000210821_100000766300 [0,1,0,1,0,0|1,0,1]=4 9727 B11R1.41 COCN1CCCCC1CO 269982a_100000210821_100000766300 [0,1,0,1,0,0|1,0,1]=4 9728 B11R1.41 CSCN1CCCCC1CO 2230a_100000210821_100011218213 [0,1,0,1,0,0|1,0,1]=4 9729 B11R1.41 CSCN1CCCCC1CO 269982a_100000210821_100011218213 [0,1,0,1,0,0|1,0,1]=4 9730 B11R1.41 CSCN1CCCCC1CO 34a_100000210821_100011218213 [0,1,0,1,0,0|1,0,1]=4 9731 B11R1.41 OCC1CCCCN1CCF 2230a_100000210821_100011217306 [0,1,0,1,0,0|1,0,1]=4 9732 B11R1.41 OCC1CCCCN1CCF 269982a_100000210821_100011217306 [0,1,0,1,0,0|1,0,1]=4 9733 B11R1.41 OCC1CCCCN1CCF 34a_100000210821_100011217306 [0,1,0,1,0,0|1,0,1]=4 9734 B11R1.41 OCCN1CCCCC1CO 2230a_100000210821_100000211926 [0,1,0,1,0,0|1,0,1]=4 9735 B11R1.41 OCCN1CCCCC1CO 269982a_100000210821_100000211926 [0,1,0,1,0,0|1,0,1]=4 9736 B11R1.41 OCCN1CCCCC1CO 34a_100000210821_100000211926 [0,1,0,1,0,0|1,0,1]=4 9737 B11R1.47 C/C=C/CCOCC1CCO1 34a_100016278192_100000103362 [0,1,0,1,0,0|0,0,2]=4 9738 B11R1.47 CC/C=C\CCNC1CCC1 2230a_100000749019_100015370543 [0,1,0,1,0,0|1,0,0]=3 9739 B11R1.47 CC/C=C\CCNC1CCC1 34a_100000749019_100015370543 [0,1,0,1,0,0|1,0,0]=3 9740 B11R1.47 CC/C=C\CCNC1COC1 2230a_100016991112_100015370543 [0,1,0,1,0,0|1,0,0]=3 9741 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [0,1,0,1,0,0|1,0,0]=3 9742 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [0,1,0,1,0,0|1,0,0]=3 9743 B11R1.47 CC/C=C\CCOC1COC1 34a_100016288707_100009818527 [0,1,0,1,0,0|1,0,0]=3 9744 B11R1.47 CC/C=C\CCOC1COC1 7a_100016288707_100009818527 [0,1,0,1,0,0|1,0,0]=3 9745 B11R1.47 CC/C=C\CCOC1CSC1 7a_100000072292_100015370543 [0,1,0,1,0,0|1,1,0]=4 9746 B11R1.47 CC/C=C\CCSC1CCC1 62a_100015370543_100000749161 [0,1,0,1,0,0|1,0,0]=3 9747 B11R1.47 CC/C=C\CCSC1COC1 62a_100015370543_100009818527 [0,1,0,1,0,0|1,0,0]=3 9748 B11R1.47 CC/C=C\CNCC1CCC1 2230a_100000738700_100103147603 [0,1,0,1,0,0|1,0,0]=3 9749 B11R1.47 CC/C=C\CNCC1CCC1 34a_100000738700_100103147603 [0,1,0,1,0,0|1,0,0]=3 9750 B11R1.47 CC/C=C\CNCC1COC1 2230a_100015281925_100103147603 [0,1,0,1,0,0|1,0,0]=3 9751 B11R1.47 CC/C=C\CNCC1COC1 34a_100015281925_100103147603 [0,1,0,1,0,0|1,0,0]=3 9752 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 2230a_100020831831_100103147603 [0,1,0,1,0,0|0,0,0]=2 9753 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 34a_100020831831_100103147603 [0,1,0,1,0,0|0,0,0]=2 9754 B11R1.47 CC/C=C\COCC1CCC1 34a_100000760304_100103147603 [0,1,0,1,0,0|1,0,0]=3 9755 B11R1.47 CC/C=C\COCC1CCC1 34a_100016268518_100000763275 [0,1,0,1,0,0|1,0,0]=3 9756 B11R1.47 CC/C=C\COCC1CCO1 34a_100000039022_100103147603 [0,1,0,1,0,0|0,0,0]=2 9757 B11R1.47 CC/C=C\COCC1CCO1 34a_100016268518_100000103362 [0,1,0,1,0,0|0,0,0]=2 9758 B11R1.47 CC/C=C\COCC1CNC1 34a_100016987283_100103147603 [0,1,0,1,0,0|2,0,0]=4 9759 B11R1.47 CC/C=C\COCC1COC1 34a_100000060846_100103147603 [0,1,0,1,0,0|1,0,0]=3 9760 B11R1.47 CC/C=C\COCC1COC1 34a_100016268518_100010264016 [0,1,0,1,0,0|1,0,0]=3 9761 B11R1.47 CC/C=C\CSCC1CCC1 62a_100000763275_100103147603 [0,1,0,1,0,0|1,0,0]=3 9762 B11R1.47 CC/C=C\CSCC1CCC1 62a_100103147603_100000763275 [0,1,0,1,0,0|1,0,0]=3 9763 B11R1.47 CC/C=C\CSCC1CCO1 62a_100000103362_100103147603 [0,1,0,1,0,0|0,0,0]=2 9764 B11R1.47 CC/C=C\CSCC1CCO1 62a_100103147603_100000103362 [0,1,0,1,0,0|0,0,0]=2 9765 B11R1.47 CC/C=C\CSCC1COC1 62a_100010264016_100103147603 [0,1,0,1,0,0|1,0,0]=3 9766 B11R1.47 CC/C=C\CSCC1COC1 62a_100103147603_100010264016 [0,1,0,1,0,0|1,0,0]=3 9767 B11R1.47 CCC#CCNC[C@@H]1CCO1 2230a_100020831831_100009813939 [0,1,0,1,0,0|0,0,2]=4 9768 B11R1.47 CCC#CCNC[C@@H]1CCO1 34a_100020831831_100009813939 [0,1,0,1,0,0|0,0,2]=4 9769 B11R1.47 CCC#CCOCC1CCO1 34a_100000032950_100000103362 [0,1,0,1,0,0|0,0,2]=4 9770 B11R1.47 CCC#CCOCC1CCO1 34a_100000039022_100009813939 [0,1,0,1,0,0|0,0,2]=4 9771 B11R1.47 CCC#CCSCC1CCO1 62a_100000103362_100009813939 [0,1,0,1,0,0|0,0,2]=4 9772 B11R1.47 CCC#CCSCC1CCO1 62a_100009813939_100000103362 [0,1,0,1,0,0|0,0,2]=4 9773 B11R1.47 CCC/C=C/COC1CCC1 34a_100016278788_100000749161 [0,1,0,1,0,0|2,0,0]=4 9774 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,1,0,1,0,0|0,0,2]=4 9775 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,1,0,1,0,0|0,0,2]=4 9776 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,1,0,1,0,0|0,0,2]=4 9777 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,1,0,1,0,0|0,0,2]=4 9778 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,1,0,1,0,0|0,0,2]=4 9779 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,1,0,1,0,0|0,0,2]=4 9780 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,1,0,1,0,0|0,0,2]=4 9781 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,1,0,1,0,0|0,0,2]=4 9782 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [0,1,0,1,0,0|1,0,1]=4 9783 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [0,1,0,1,0,0|1,0,1]=4 9784 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [0,1,0,1,0,0|1,0,1]=4 9785 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [0,1,0,1,0,0|1,0,1]=4 9786 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [0,1,0,1,0,0|1,0,1]=4 9787 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [0,1,0,1,0,0|1,0,1]=4 9788 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [0,1,0,1,0,0|1,0,1]=4 9789 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [0,1,0,1,0,0|1,0,1]=4 9790 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [0,1,0,1,0,0|1,0,1]=4 9791 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [0,1,0,1,0,0|1,0,1]=4 9792 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [0,1,0,1,0,0|1,0,1]=4 9793 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [0,1,0,1,0,0|1,0,1]=4 9794 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [0,1,0,1,0,0|1,0,1]=4 9795 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [0,1,0,1,0,0|1,0,1]=4 9796 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [0,1,0,1,0,0|1,0,1]=4 9797 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [0,1,0,1,0,0|1,0,1]=4 9798 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [0,1,0,1,0,0|1,0,1]=4 9799 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,1,0,1,0,0|0,0,2]=4 9800 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [0,1,0,1,0,0|0,0,2]=4 9801 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [0,1,0,1,0,0|0,0,2]=4 9802 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [0,1,0,1,0,0|0,0,2]=4 9803 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [0,1,0,1,0,0|0,0,2]=4 9804 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [0,1,0,1,0,0|1,0,1]=4 9805 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|1,0,1]=4 9806 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,1,0,1,0,0|0,0,2]=4 9807 B11R1.47 OCCCCCOC1CSC1 7a_100000072292_100000746330 [0,1,0,1,0,0|1,0,1]=4 9808 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [0,1,0,1,0,0|0,0,2]=4 9809 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [0,1,0,1,0,0|1,0,1]=4 9810 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [0,1,0,1,0,0|0,0,2]=4 9811 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [0,1,0,1,0,0|0,0,2]=4 9812 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [0,1,0,1,0,0|0,0,2]=4 9813 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [0,1,0,1,0,0|0,0,2]=4 9814 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [0,1,0,1,0,0|0,0,2]=4 9815 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [0,1,0,1,0,0|1,0,1]=4 9816 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|1,0,1]=4 9817 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [0,1,0,1,0,0|1,0,1]=4 9818 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [0,1,0,1,0,0|1,0,1]=4 9819 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [0,1,0,1,0,0|0,0,2]=4 9820 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [0,1,0,1,0,0|1,0,1]=4 9821 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [0,1,0,1,0,0|0,0,2]=4 9822 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [0,1,0,1,0,0|0,0,2]=4 9823 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [0,1,0,1,0,0|1,0,1]=4 9824 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [0,1,0,1,0,0|1,0,1]=4 9825 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [0,1,0,1,0,0|1,0,1]=4 9826 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [0,1,0,1,0,0|1,0,1]=4 9827 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [0,1,0,1,0,0|1,0,1]=4 9828 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [0,1,0,1,0,0|1,0,1]=4 9829 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [0,1,0,1,0,0|1,0,1]=4 9830 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [0,1,0,1,0,0|1,0,1]=4 9831 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [0,1,0,1,0,0|1,0,1]=4 9832 B11R1.190 CC/C=C\CCN1CCC1C 269982a_100000755817_100015370543 [0,1,0,1,0,0|1,0,0]=3 9833 B11R1.190 CC/C=C\CCN1CCC1C 34a_100000755817_100015370543 [0,1,0,1,0,0|1,0,0]=3 9834 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,1,0,1,0,0|0,0,2]=4 9835 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,1,0,1,0,0|0,0,2]=4 9836 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,1,0,1,0,0|0,0,2]=4 9837 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [0,1,0,1,0,0|0,0,2]=4 9838 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [0,1,0,1,0,0|0,0,2]=4 9839 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,1,0,1,0,0|1,0,1]=4 9840 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|1,0,1]=4 9841 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|1,0,1]=4 9842 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,1,0,1,0,0|1,0,1]=4 9843 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,1,0,1,0,0|1,0,1]=4 9844 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,1,0,1,0,0|1,0,1]=4 9845 B11R1.203 CCNN=C1CCCCCC1 4a_100000756455_100000210131 [0,1,0,1,0,0|2,0,0]=4 9846 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [0,1,0,1,0,0|0,0,2]=4 9847 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [0,1,0,1,0,0|0,0,2]=4 9848 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [0,1,0,1,0,0|0,0,2]=4 9849 B11R1.203 OCCCN1CCCOCC1 2230a_100000685342_100000230001 [0,1,0,1,0,0|1,0,1]=4 9850 B11R1.203 OCCCN1CCCOCC1 269982a_100000685342_100011215043 [0,1,0,1,0,0|1,0,1]=4 9851 B11R1.203 OCCCN1CCCOCC1 34a_100000685342_100000230001 [0,1,0,1,0,0|1,0,1]=4 9852 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,1,0,1,0,0|0,0,2]=4 9853 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,1,0,1,0,0|0,0,2]=4 9854 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,1,0,1,0,0|0,0,2]=4 9855 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,1,0,1,0,0|0,0,2]=4 9856 B11R1.203 OCCNC1CCCNCC1 270004a_100000210304_100015187895 [0,1,0,1,0,0|1,0,1]=4 9857 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,1,0,1,0,0|0,0,2]=4 9858 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,1,0,1,0,0|0,0,2]=4 9859 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [0,1,0,1,0,0|0,0,2]=4 9860 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [0,1,0,1,0,0|0,0,2]=4 9861 B11R1.1 C=C1CCC(CC1)NCCO 270004a_100000210304_100010272673 [0,1,0,1,0,0|1,0,1]=4 9862 B11R1.1 C=C1CCN(CC1)CCCO 2230a_100000752442_100000230001 [0,1,0,1,0,0|1,0,1]=4 9863 B11R1.1 C=C1CCN(CC1)CCCO 269982a_100000752442_100011215043 [0,1,0,1,0,0|1,0,1]=4 9864 B11R1.1 C=C1CCN(CC1)CCCO 34a_100000752442_100000230001 [0,1,0,1,0,0|1,0,1]=4 9865 B11R1.1 CC1=CCN(CC1)CCCF 2230a_100000693516_100011934791 [0,1,0,1,0,0|2,0,0]=4 9866 B11R1.1 CC1=CCN(CC1)CCCF 269982a_100000693516_100011934791 [0,1,0,1,0,0|2,0,0]=4 9867 B11R1.1 CC1=CCN(CC1)CCCF 34a_100000693516_100011934791 [0,1,0,1,0,0|2,0,0]=4 9868 B11R1.1 CC1=CCN(CC1)CCCO 2230a_100000693516_100000230001 [0,1,0,1,0,0|1,0,0]=3 9869 B11R1.1 CC1=CCN(CC1)CCCO 269982a_100000693516_100011215043 [0,1,0,1,0,0|1,0,0]=3 9870 B11R1.1 CC1=CCN(CC1)CCCO 34a_100000693516_100000230001 [0,1,0,1,0,0|1,0,0]=3 9871 B11R1.1 CCCCN1CC=C(CC1)C 2230a_100000693516_100000210211 [0,1,0,1,0,0|2,0,0]=4 9872 B11R1.1 CCCCN1CC=C(CC1)C 269982a_100000693516_100000210211 [0,1,0,1,0,0|2,0,0]=4 9873 B11R1.1 CCCCN1CC=C(CC1)C 34a_100000693516_100000210210 [0,1,0,1,0,0|2,0,0]=4 9874 B11R1.1 CN1CCC(CC1)CCCO 2230a_100016988962_200000210301 [0,1,0,1,0,0|1,0,1]=4 9875 B11R1.1 CN1CCC(CC1)CCCO 269982a_100016988962_200000210301 [0,1,0,1,0,0|1,0,1]=4 9876 B11R1.1 CN1CCC(CC1)CCCO 34a_100016988962_200000210301 [0,1,0,1,0,0|1,0,1]=4 9877 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,1,0,1,0,0|1,0,1]=4 9878 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,1,0,1,0,0|1,0,1]=4 9879 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [0,1,0,1,0,0|2,0,0]=4 9880 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [0,1,0,1,0,0|2,0,0]=4 9881 B11R1.1 O=C1CCC(CN1)OCCO 34a_100000079199_100000211926 [0,1,0,1,0,0|2,0,0]=4 9882 B11R1.1 [13CH3]N1CCC(CC1)CCCO 2230a_100016988962_200025704644 [0,1,0,1,0,0|1,0,1]=4 9883 B11R1.1 [13CH3]N1CCC(CC1)CCCO 269982a_100016988962_200025704644 [0,1,0,1,0,0|1,0,1]=4 9884 B11R1.1 [13CH3]N1CCC(CC1)CCCO 34a_100016988962_200025704644 [0,1,0,1,0,0|1,0,1]=4 9885 B11R1.13 CC1C(=O)NCCN1CCO 2230a_100000750721_100000211926 [0,1,0,1,0,0|2,0,0]=4 9886 B11R1.13 CC1C(=O)NCCN1CCO 269982a_100000750721_100000211926 [0,1,0,1,0,0|2,0,0]=4 9887 B11R1.13 CC1C(=O)NCCN1CCO 34a_100000750721_100000211926 [0,1,0,1,0,0|2,0,0]=4 9888 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,1,0,0|1,0,1]=4 9889 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,1,0,0|1,0,1]=4 9890 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,1,0,1,0,0|0,0,1]=3 9891 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [0,1,0,1,0,0|1,0,1]=4 9892 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [0,1,0,1,0,0|1,0,1]=4 9893 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,1,0,1,0,0|1,0,1]=4 9894 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,1,0,1,0,0|2,0,0]=4 9895 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,1,0,1,0,0|2,0,0]=4 9896 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,1,0,1,0,0|2,0,0]=4 9897 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,1,0,1,0,0|2,0,0]=4 9898 B11R1.25 CCC(=O)NCC1OCCO1 11a_100000036311_100000210414 [0,1,0,1,0,0|2,0,0]=4 9899 B11R1.25 CCC(=O)NCC1OCCO1 1626a_100000036311_100000210414 [0,1,0,1,0,0|2,0,0]=4 9900 B11R1.25 CCC(=O)NCC1OCCO1 527a_100000036311_100000210414 [0,1,0,1,0,0|2,0,0]=4 9901 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,1,0,1,0,0|1,0,0]=3 9902 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,1,0,1,0,0|1,0,0]=3 9903 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,1,0,1,0,0|1,0,0]=3 9904 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,1,0,1,0,0|1,0,0]=3 9905 B11R1.25 CCC(C)NCC1CCCO1 2230a_100000209981_100000203698 [0,1,0,1,0,0|1,0,1]=4 9906 B11R1.25 CCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000758301 [0,1,0,1,0,0|1,0,1]=4 9907 B11R1.25 CCC(C)NC[C@@H]1CCCO1 34a_100020590478_100011215416 [0,1,0,1,0,0|1,0,1]=4 9908 B11R1.25 CCC(C)OCC1CCCO1 34a_100000210270_100011215416 [0,1,0,1,0,0|1,0,1]=4 9909 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210228_100000203698 [0,1,0,1,0,0|1,0,1]=4 9910 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210270_100000758301 [0,1,0,1,0,0|1,0,1]=4 9911 B11R1.25 CCC(C)SCC1CCCO1 62a_100000203698_100000758301 [0,1,0,1,0,0|1,0,1]=4 9912 B11R1.25 CCC(C)SCC1CCCO1 62a_100000758301_100000203698 [0,1,0,1,0,0|1,0,1]=4 9913 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,1,0,1,0,0|1,0,1]=4 9914 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 9915 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 9916 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 9917 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_106832991635 [0,1,0,1,0,0|2,0,0]=4 9918 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100102657272_100020590478 [0,1,0,1,0,0|2,0,0]=4 9919 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100102657272 [0,1,0,1,0,0|2,0,0]=4 9920 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100102657272_100020590478 [0,1,0,1,0,0|2,0,0]=4 9921 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100102657272 [0,1,0,1,0,0|2,0,0]=4 9922 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,1,0,1,0,0|1,0,1]=4 9923 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 240690a_100020590478_100000210174 [0,1,0,1,0,0|2,0,0]=4 9924 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 527a_100020590478_100000210174 [0,1,0,1,0,0|2,0,0]=4 9925 B11R1.40 CC(CO)OC1CC=CCC1 34a_100000073881_100012180447 [0,1,0,1,0,0|1,0,0]=3 9926 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,1,0,1,0,0|1,0,1]=4 9927 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,1,0,0|1,0,1]=4 9928 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,1,0,0|1,0,1]=4 9929 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,1,0,1,0,0|0,0,1]=3 9930 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,1,0,1,0,0|0,0,1]=3 9931 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,1,0,1,0,0|2,0,0]=4 9932 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,1,0,1,0,0|2,0,0]=4 9933 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,1,0,1,0,0|2,0,0]=4 9934 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,1,0,1,0,0|2,0,0]=4 9935 B11R1.40 CCC(C)CN1CC=CCC1 2230a_100000698166_100000748023 [0,1,0,1,0,0|2,0,0]=4 9936 B11R1.40 CCC(C)CN1CC=CCC1 269982a_100000698166_100000748023 [0,1,0,1,0,0|2,0,0]=4 9937 B11R1.40 CCC(C)CN1CC=CCC1 270004a_100000698166_100000243153 [0,1,0,1,0,0|2,0,0]=4 9938 B11R1.40 CCC(C)CN1CC=CCC1 34a_100000698166_100000748023 [0,1,0,1,0,0|2,0,0]=4 9939 B11R1.40 CCC(C)OC1CC=CCC1 34a_100000073881_100011215416 [0,1,0,1,0,0|2,0,0]=4 9940 B11R1.40 CCC(C)OC1CCCCO1 34a_100000033831_100011215416 [0,1,0,1,0,0|1,0,1]=4 9941 B11R1.40 CCC(O)CN1CC=CCC1 2230a_100000698166_100011218378 [0,1,0,1,0,0|2,0,0]=4 9942 B11R1.40 CCC(O)CN1CC=CCC1 269982a_100000698166_100011218378 [0,1,0,1,0,0|2,0,0]=4 9943 B11R1.40 CCC(O)CN1CC=CCC1 34a_100000698166_100011218378 [0,1,0,1,0,0|2,0,0]=4 9944 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225621_100000211543 [0,1,0,1,0,0|1,0,1]=4 9945 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225654_100000210202 [0,1,0,1,0,0|1,0,1]=4 9946 B11R1.40 CCN(C)CC1CCCCO1 2230a_100015185122_200000210301 [0,1,0,1,0,0|1,0,1]=4 9947 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225621_100000211543 [0,1,0,1,0,0|1,0,1]=4 9948 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225654_100000204670 [0,1,0,1,0,0|1,0,1]=4 9949 B11R1.40 CCN(C)CC1CCCCO1 269982a_100015185122_200000210301 [0,1,0,1,0,0|1,0,1]=4 9950 B11R1.40 CCN(C)CC1CCCCO1 34a_100000225654_100000210202 [0,1,0,1,0,0|1,0,1]=4 9951 B11R1.40 CCN(C)CC1CCCCO1 34a_100015185122_200000210301 [0,1,0,1,0,0|1,0,1]=4 9952 B11R1.40 CCN([13CH3])CC1CCCCO1 2230a_100015185122_200025704644 [0,1,0,1,0,0|1,0,1]=4 9953 B11R1.40 CCN([13CH3])CC1CCCCO1 269982a_100015185122_200025704644 [0,1,0,1,0,0|1,0,1]=4 9954 B11R1.40 CCN([13CH3])CC1CCCCO1 34a_100015185122_200025704644 [0,1,0,1,0,0|1,0,1]=4 9955 B11R1.40 CC[C@H](C)CN1CC=CCC1 2230a_100000698166_100009816398 [0,1,0,1,0,0|2,0,0]=4 9956 B11R1.40 CC[C@H](C)CN1CC=CCC1 269982a_100000698166_100009816398 [0,1,0,1,0,0|2,0,0]=4 9957 B11R1.40 CC[C@H](C)CN1CC=CCC1 34a_100000698166_100009816398 [0,1,0,1,0,0|2,0,0]=4 9958 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,1,0,1,0,0|1,0,1]=4 9959 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 9960 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 9961 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 9962 B11R1.40 C[C@@H](CO)CN1CC=CCC1 2230a_100000698166_100000059175 [0,1,0,1,0,0|1,0,0]=3 9963 B11R1.40 C[C@@H](CO)CN1CC=CCC1 269982a_100000698166_100000059175 [0,1,0,1,0,0|1,0,0]=3 9964 B11R1.40 C[C@@H](CO)CN1CC=CCC1 34a_100000698166_100000059175 [0,1,0,1,0,0|1,0,0]=3 9965 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,1,0,1,0,0|1,0,1]=4 9966 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,1,0,0|1,0,1]=4 9967 B11R1.40 OCC(O)CN1CC=CCC1 2230a_100000698166_100011219619 [0,1,0,1,0,0|1,0,0]=3 9968 B11R1.40 OCC(O)CN1CC=CCC1 34a_100000698166_100011219619 [0,1,0,1,0,0|1,0,0]=3 9969 B11R1.40 OC[C@H](O)CN1CC=CCC1 2230a_100000698166_100009815848 [0,1,0,1,0,0|1,0,0]=3 9970 B11R1.40 OC[C@H](O)CN1CC=CCC1 34a_100000698166_100009815848 [0,1,0,1,0,0|1,0,0]=3 9971 B11R1.40 O[C@@H](CF)CN1CC=CCC1 2230a_100000698166_100015614560 [0,1,0,1,0,0|2,0,0]=4 9972 B11R1.40 O[C@@H](CF)CN1CC=CCC1 34a_100000698166_100015614560 [0,1,0,1,0,0|2,0,0]=4 9973 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 9974 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 9975 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 9976 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 9977 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [0,1,0,1,0,0|1,0,0]=3 9978 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [0,1,0,1,0,0|1,0,0]=3 9979 B11R1.59 CCC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000758301 [0,1,0,1,0,0|1,0,1]=4 9980 B11R1.59 CCC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000758301 [0,1,0,1,0,0|1,0,1]=4 9981 B11R1.59 CCC(C)N1CCC[C@@H]1CO 34a_100000745186_100011215416 [0,1,0,1,0,0|1,0,1]=4 9982 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 2708a_100102657272_100000745186 [0,1,0,1,0,0|2,0,0]=4 9983 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 273464a_100102657272_100000745186 [0,1,0,1,0,0|2,0,0]=4 9984 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 240690a_100000745186_100000210174 [0,1,0,1,0,0|2,0,0]=4 9985 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 527a_100000745186_100000210174 [0,1,0,1,0,0|2,0,0]=4 9986 B11R1.194 CCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210303 [0,1,0,1,0,0|1,0,1]=4 9987 B11R1.194 CCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210303 [0,1,0,1,0,0|1,0,1]=4 9988 B11R1.194 CCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210303 [0,1,0,1,0,0|1,0,1]=4 9989 B11R1.214 CCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210202 [0,1,0,1,0,0|1,0,1]=4 9990 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,1,0,0|1,0,1]=4 9991 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,1,0,1,0,0|0,0,1]=3 9992 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 9993 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 9994 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 9995 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 9996 B11R1.222 CCN(C)C1CCCCC1O 269982a_100000225621_100000038908 [0,1,0,1,0,0|1,0,1]=4 9997 B11R1.222 CCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000204670 [0,1,0,1,0,0|1,0,1]=4 9998 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,1,0,1,0,0|1,0,1]=4 9999 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [0,1,0,1,0,0|1,0,0]=3 10000 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [0,1,0,1,0,0|1,0,0]=3 10001 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100000210414 [0,1,0,1,0,0|2,0,0]=4 10002 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100000210414 [0,1,0,1,0,0|2,0,0]=4 10003 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100000210414 [0,1,0,1,0,0|2,0,0]=4 10004 B11R1.228 CCC(C)S[C@@H]1CCC[C@H]1O 62a_100000758301_200016002552 [0,1,0,1,0,0|1,0,1]=4 10005 B11R1.228 CCC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000758301 [0,1,0,1,0,0|1,0,1]=4 10006 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100102657272_100000748460 [0,1,0,1,0,0|2,0,0]=4 10007 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100102657272 [0,1,0,1,0,0|2,0,0]=4 10008 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100102657272_100000748460 [0,1,0,1,0,0|2,0,0]=4 10009 B11R1.228 O=C(CO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210174 [0,1,0,1,0,0|2,0,0]=4 10010 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [0,1,0,1,0,0|1,0,1]=4 10011 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000103362_100000747405 [0,1,0,1,0,0|1,0,1]=4 10012 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000747405_100000103362 [0,1,0,1,0,0|1,0,1]=4 10013 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,1,0,1,0,0|1,0,1]=4 10014 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [0,1,0,1,0,0|1,0,1]=4 10015 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [0,1,0,1,0,0|1,0,1]=4 10016 B11R1.237 CCC(C)NCCCC1CO1 2230a_100000209981_100000733510 [0,1,0,1,0,0|1,0,1]=4 10017 B11R1.237 CCC(C)OCCCC1CO1 7a_100000210228_100000733510 [0,1,0,1,0,0|1,0,1]=4 10018 B11R1.237 CCC(C)SCCCC1CO1 62a_100000733510_100000758301 [0,1,0,1,0,0|1,0,1]=4 10019 B11R1.237 CCC(C)SCCCC1CO1 62a_100000758301_100000733510 [0,1,0,1,0,0|1,0,1]=4 10020 B11R1.320 CC/C=C\CCNC1(CC1)C 2230a_100000757604_100015370543 [0,1,0,1,0,0|2,0,0]=4 10021 B11R1.320 CC/C=C\CCOC1(CC1)C 7a_100011725673_100015370543 [0,1,0,1,0,0|2,0,0]=4 10022 B11R1.320 CC/C=C\CNCC1(CC1)C 2230a_100000766693_100103147603 [0,1,0,1,0,0|2,0,0]=4 10023 B11R1.320 CC/C=C\CNCC1(CC1)O 2230a_100011936951_100103147603 [0,1,0,1,0,0|2,0,0]=4 10024 B11R1.320 CC/C=C\COCC1(CC1)C 7a_100000698024_100103147603 [0,1,0,1,0,0|2,0,0]=4 10025 B11R1.320 CC/C=C\COCC1(CC1)F 34a_200000703853_100103147603 [0,1,0,1,0,0|2,0,0]=4 10026 B11R1.320 CC/C=C\COCC1(CC1)F 7a_200000703853_100103147603 [0,1,0,1,0,0|2,0,0]=4 10027 B11R1.320 CC/C=C\COCC1(CO1)C 34a_100016268518_100000760498 [0,1,0,1,0,0|1,0,0]=3 10028 B11R1.320 CC/C=C\CSCC1(CO1)C 62a_100000760498_100103147603 [0,1,0,1,0,0|1,0,0]=3 10029 B11R1.320 CC/C=C\CSCC1(CO1)C 62a_100103147603_100000760498 [0,1,0,1,0,0|1,0,0]=3 10030 B11R1.320 CC1(CC1)NCCCCCO 2230a_100000757604_100000746330 [0,1,0,1,0,0|1,0,1]=4 10031 B11R1.320 CC1(CC1)OCCCCCO 7a_100011725673_100000746330 [0,1,0,1,0,0|1,0,1]=4 10032 B11R1.757 CC/C=C\CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100103147603 [0,1,0,1,0,0|2,0,0]=4 10033 B11R1.757 CC/C=C\CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100103147603 [0,1,0,1,0,0|2,0,0]=4 10034 B11R1.759 CC/C=C\CN1CC(C1)CC 2230a_100015205115_100103147603 [0,1,0,1,0,0|2,0,0]=4 10035 B11R1.759 CC/C=C\CN1CC(C1)CC 269982a_100015205115_100103147603 [0,1,0,1,0,0|2,0,0]=4 10036 B11R1.759 CC/C=C\CN1CC(C1)CF 269982a_100010363649_100103147603 [0,1,0,1,0,0|2,0,0]=4 10037 B11R1.759 CC/C=C\CN1CC(C1)CF 34a_100010363649_100103147603 [0,1,0,1,0,0|2,0,0]=4 10038 B11R1.759 CC/C=C\CN1CC(C1)CO 269982a_100016987283_100103147603 [0,1,0,1,0,0|1,0,0]=3 10039 B11R1.759 CC/C=C\CN1CC(C1)CO 34a_100016987283_100103147603 [0,1,0,1,0,0|1,0,0]=3 10040 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [0,1,0,1,0,0|1,0,1]=4 10041 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|1,0,1]=4 10042 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|1,0,1]=4 10043 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 10044 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 10045 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 10046 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 10047 B11R1.852 O=C(CF)C1CCC=CCC1 1458a_100000048548_100015361967 [0,1,0,1,0,0|1,0,1]=4 10048 B11R1.29 CCC=CC(=O)C1CCCC1 1458a_100000212282_100000179811 [0,1,0,1,0,0|1,0,1]=4 10049 B11R1.29 CCCNC(C)C1CCCO1 2230a_100025754208_100000210303 [0,1,0,1,0,0|1,0,1]=4 10050 B11R1.29 CCCNC(C)C1CCCO1 34a_100025754208_100000210303 [0,1,0,1,0,0|1,0,1]=4 10051 B11R1.183 CCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210303 [0,1,0,1,0,0|1,0,1]=4 10052 B11R1.183 CCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210303 [0,1,0,1,0,0|1,0,1]=4 10053 B11R1.183 CCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210303 [0,1,0,1,0,0|1,0,1]=4 10054 B11R1.183 CCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000210303 [0,1,0,1,0,0|1,0,1]=4 10055 B11R1.183 CCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000210303 [0,1,0,1,0,0|1,0,1]=4 10056 B11R1.284 CCC=CC(=O)CC1CCC1 1458a_100000212282_100000763275 [0,1,0,1,0,0|1,0,1]=4 10057 B11R1.284 CCC=CC(=O)CC1CCO1 1458a_100000212282_100000103362 [0,1,0,1,0,0|0,0,1]=3 10058 B11R1.284 COC=CC(=O)CC1CCO1 1458a_100016268678_100000103362 [0,1,0,1,0,0|1,0,1]=4 10059 B11R1.285 CCC=CC(=O)CCC1CC1 1458a_100000212282_100000694398 [0,1,0,1,0,0|1,0,1]=4 10060 B11R1.285 CCC=CC(=O)CCC1CO1 1458a_100000212282_100000732470 [0,1,0,1,0,0|0,0,1]=3 10061 B11R1.285 COC=CC(=O)CCC1CO1 1458a_100016268678_100000732470 [0,1,0,1,0,0|1,0,1]=4 10062 B11R1.285 C[C@H](CCCO)CNC1CC1 34a_100160569302_100000211595 [0,1,0,1,0,0|1,0,1]=4 10063 B11R1.299 CC/C=C/CC(=O)C1CCC1 1458a_100016274230_100000749161 [0,1,0,1,0,0|1,0,1]=4 10064 B11R1.299 CC/C=C\CC(=O)C1CCC1 1458a_100000209988_100103147603 [0,1,0,1,0,0|1,0,1]=4 10065 B11R1.299 CC/C=C\CC(=O)C1CCO1 1458a_100000089072_100103147603 [0,1,0,1,0,0|0,0,1]=3 10066 B11R1.299 CC/C=C\CN(C)C1CCC1 2230a_100000758072_100103147603 [0,1,0,1,0,0|2,0,0]=4 10067 B11R1.299 CC/C=C\CN(C)C1CCC1 269982a_100000758072_100103147603 [0,1,0,1,0,0|2,0,0]=4 10068 B11R1.299 CC/C=C\CN(C)C1CCC1 34a_100000758072_100103147603 [0,1,0,1,0,0|2,0,0]=4 10069 B11R1.301 CC/C=C/CC(=O)CC1CC1 1458a_100016274230_100000742324 [0,1,0,1,0,0|1,0,1]=4 10070 B11R1.301 CC/C=C/CC(=O)CC1CO1 1458a_100016274230_100011216344 [0,1,0,1,0,0|0,0,1]=3 10071 B11R1.301 CC/C=C/CC(=O)CC1CS1 1458a_100016274230_100000031435 [0,1,0,1,0,0|0,1,1]=4 10072 B11R1.301 CC/C=C/CC(=O)C[C@@H]1CO1 1458a_100016274230_100000745022 [0,1,0,1,0,0|0,0,1]=3 10073 B11R1.301 CC/C=C\CC(=O)CC1CC1 1458a_100000738066_100103147603 [0,1,0,1,0,0|1,0,1]=4 10074 B11R1.301 CC/C=C\CN(C)CC1CC1 2230a_100000741881_100103147603 [0,1,0,1,0,0|2,0,0]=4 10075 B11R1.301 CC/C=C\CN(C)CC1CC1 269982a_100000741881_100103147603 [0,1,0,1,0,0|2,0,0]=4 10076 B11R1.900 CC1(CC=CCC1)COCF 34a_200000074738_100015361967 [0,1,0,1,0,0|2,0,0]=4 10077 B11R1.900 CCOCC1(CC=CCC1)C 34a_200000074738_100000210202 [0,1,0,1,0,0|2,0,0]=4 10078 B11R1.1034 CC/C=C\CC(=O)C1CC1C 1458a_100000211227_100103147603 [0,1,0,1,0,0|1,0,1]=4 10079 B11R1.1034 CC/C=C\CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100103147603 [0,1,0,1,0,0|1,0,1]=4 10080 B11R2.248 CCCN1CC2C=CC1C2 2230a_100000732668_100000210303 [0,0,0,2,0,0|2,0,0]=4 10081 B11R2.248 CCCN1CC2C=CC1C2 269982a_100000732668_100000210303 [0,0,0,2,0,0|2,0,0]=4 10082 B11R2.248 CCCN1CC2C=CC1C2 34a_100000732668_100000210303 [0,0,0,2,0,0|2,0,0]=4 10083 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210303 [0,0,0,2,0,0|1,0,1]=4 10084 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000210303 [0,0,0,2,0,0|1,0,1]=4 10085 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210303 [0,0,0,2,0,0|1,0,1]=4 10086 B11R2.248 CCOC1CC2C=CC1C2 34a_100000043678_100000210202 [0,0,0,2,0,0|2,0,0]=4 10087 B11R2.248 CNCC1CC2C=CC1C2 2230a_100000189500_200000210301 [0,0,0,2,0,0|2,0,0]=4 10088 B11R2.248 CNCC1CC2C=CC1C2 2230a_106832991635_200009814271 [0,0,0,2,0,0|2,0,0]=4 10089 B11R2.248 CNCC1CC2C=CC1C2 34a_100000189500_200000210301 [0,0,0,2,0,0|2,0,0]=4 10090 B11R2.248 CNCC1CC2C=CC1C2 34a_100102657272_200009814271 [0,0,0,2,0,0|2,0,0]=4 10091 B11R2.248 CNCC1CC2C=CC1C2 7a_106832991635_100000139495 [0,0,0,2,0,0|2,0,0]=4 10092 B11R2.248 COCC1CC2C=CC1C2 34a_100011215361_200000210301 [0,0,0,2,0,0|2,0,0]=4 10093 B11R2.248 COCC1CC2C=CC1C2 34a_100138415774_200009814271 [0,0,0,2,0,0|2,0,0]=4 10094 B11R2.248 CSCC1CC2C=CC1C2 62a_100000139495_200000210301 [0,0,0,2,0,0|2,0,0]=4 10095 B11R2.248 CSCC1CC2C=CC1C2 62a_200000210301_100000139495 [0,0,0,2,0,0|2,0,0]=4 10096 B11R2.248 FCCN1CC2C=CC1C2 2230a_100000732668_100011217306 [0,0,0,2,0,0|2,0,0]=4 10097 B11R2.248 FCCN1CC2C=CC1C2 269982a_100000732668_100011217306 [0,0,0,2,0,0|2,0,0]=4 10098 B11R2.248 FCCN1CC2C=CC1C2 34a_100000732668_100011217306 [0,0,0,2,0,0|2,0,0]=4 10099 B11R2.248 FCOC1CC2C=CC1C2 34a_100000043678_100015361967 [0,0,0,2,0,0|2,0,0]=4 10100 B11R2.248 OCCN1CC2C=CC1C2 2230a_100000732668_100000211926 [0,0,0,2,0,0|1,0,0]=3 10101 B11R2.248 OCCN1CC2C=CC1C2 269982a_100000732668_100000211926 [0,0,0,2,0,0|1,0,0]=3 10102 B11R2.248 OCCN1CC2C=CC1C2 34a_100000732668_100000211926 [0,0,0,2,0,0|1,0,0]=3 10103 B11R2.248 [13CH3]NCC1CC2C=CC1C2 2230a_100000189500_200025704644 [0,0,0,2,0,0|2,0,0]=4 10104 B11R2.248 [13CH3]NCC1CC2C=CC1C2 34a_100000189500_200025704644 [0,0,0,2,0,0|2,0,0]=4 10105 B11R2.248 [13CH3]OCC1CC2C=CC1C2 34a_100011215361_200025704644 [0,0,0,2,0,0|2,0,0]=4 10106 B11R2.248 [13CH3]SCC1CC2C=CC1C2 62a_100000139495_200025704644 [0,0,0,2,0,0|2,0,0]=4 10107 B11R2.248 [13CH3]SCC1CC2C=CC1C2 62a_200025704644_100000139495 [0,0,0,2,0,0|2,0,0]=4 10108 B11R2.216 OC[C@H]1CCCN1C2CC2 269982a_100000745186_100000211595 [0,0,0,2,0,0|1,0,1]=4 10109 B11R2.216 OC[C@H]1CCCN1C2CC2 34a_100000745186_100000211595 [0,0,0,2,0,0|1,0,1]=4 10110 B11R2.238 C1=CCC(CC1)OC2CC2 34a_100000073881_100000211595 [0,0,0,2,0,0|2,0,0]=4 10111 B11R2.238 C1=CCN(CC1)CC2CC2 2230a_100000698166_100000742324 [0,0,0,2,0,0|2,0,0]=4 10112 B11R2.238 C1=CCN(CC1)CC2CC2 269982a_100000698166_100000756562 [0,0,0,2,0,0|2,0,0]=4 10113 B11R2.238 C1=CCN(CC1)CC2CC2 34a_100000698166_100000742324 [0,0,0,2,0,0|2,0,0]=4 10114 B11R2.238 C1=CCN(CC1)CC2CO2 2230a_100000698166_100011216344 [0,0,0,2,0,0|1,0,0]=3 10115 B11R2.238 C1=CCN(CC1)CC2CO2 269982a_100000698166_102125554688 [0,0,0,2,0,0|1,0,0]=3 10116 B11R2.238 C1=CCN(CC1)CC2CO2 34a_100000698166_102125554688 [0,0,0,2,0,0|1,0,0]=3 10117 B11R2.238 C1=CCN(CC1)CC2CS2 269982a_100000698166_100000031435 [0,0,0,2,0,0|1,1,0]=4 10118 B11R2.238 C1=CCN(CC1)C[C@@H]2CO2 269982a_100000698166_100000745022 [0,0,0,2,0,0|1,0,0]=3 10119 B11R2.238 C1CCC(OC1)OC2CC2 34a_100000033831_100000211595 [0,0,0,2,0,0|1,0,1]=4 10120 B11R2.239 C1=CCN(CC1)C2CCC2 269982a_100000698166_100000749161 [0,0,0,2,0,0|2,0,0]=4 10121 B11R2.239 C1=CCN(CC1)C2CCC2 270004a_100000698166_100000241760 [0,0,0,2,0,0|2,0,0]=4 10122 B11R2.239 C1=CCN(CC1)C2CCC2 34a_100000698166_100000749161 [0,0,0,2,0,0|2,0,0]=4 10123 B11R2.237 C1COC(C1)CN2CCC2 269982a_100000754969_100000183445 [0,0,0,2,0,0|1,0,1]=4 10124 B11R2.385 C1COC(C1)COC2CC2 34a_100000210270_100000211595 [0,0,0,2,0,0|1,0,1]=4 10125 B11R2.385 C1COC(C1)CSC2CC2 62a_100000203698_100000211595 [0,0,0,2,0,0|1,0,1]=4 10126 B11R2.385 C1CO[C@@H](C1)CNC2CC2 34a_100020590478_100000211595 [0,0,0,2,0,0|1,0,1]=4 10127 B11R2.115 O[C@@H]1CCC[C@H]1SC2CC2 62a_200016002552_100000211595 [0,0,0,2,0,0|1,0,1]=4 10128 B11R2.459 O[C@@H]1CCC[C@H]1N2CCC2 269982a_100000754969_200016002552 [0,0,0,2,0,0|1,0,1]=4 10129 B11R2.1039 C(CC1CO1)CN2CCC2 269982a_100000754969_100000733510 [0,0,0,2,0,0|1,0,1]=4 10130 B11R2.1034 C(CNC1CC1)CC2CO2 34a_100000212008_100000733510 [0,0,0,2,0,0|1,0,1]=4 10131 B11R2.1034 C(CSC1CC1)CC2CO2 62a_100000733510_100000211595 [0,0,0,2,0,0|1,0,1]=4