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1626a_100000210581_100000185746 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,0,0,0,0,0|1,0,3]=4 16 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,0,0,0,0,0|1,0,3]=4 17 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,0,0,0,0,0|1,0,3]=4 18 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,0,0,0,0,0|1,0,3]=4 19 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,0,0,0,0,0|1,0,3]=4 20 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,0,0,0,0,0|1,0,3]=4 21 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [0,0,0,0,0,0|1,0,2]=3 22 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,0,0,0,0,0|1,0,2]=3 23 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,0,0,0,0,0|1,0,2]=3 24 B10R0.74 C=CCSC/C=C/C(=O)OC 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[0,0,0,0,0,0|3,0,1]=4 37 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,0,0,0,0,0|3,0,1]=4 43 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,0,0,0,0,0|4,0,0]=4 50 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,0,0,0,0,0|1,0,2]=3 51 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [0,0,0,0,0,0|1,0,2]=3 53 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [0,0,0,0,0,0|1,0,2]=3 54 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [0,0,0,0,0,0|1,0,2]=3 55 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,0,0,0,0,0|1,0,2]=3 56 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,0,0,0,0,0|1,0,2]=3 58 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 59 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 60 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 61 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,0,0,0,0,0|3,0,1]=4 62 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,0,0,0,0,0|1,0,2]=3 63 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,0,0,0,0,0|1,0,2]=3 65 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,0,0,0,0,0|1,0,0]=1 66 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,0,0,0,0,0|2,0,0]=2 67 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,0,0,0,0,0|1,0,0]=1 68 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,0,0,0,0,0|1,0,0]=1 69 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,0,0,0,0,0|1,0,0]=1 70 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,0,0,0,0,0|1,0,2]=3 71 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,0,0,0,0,0|1,0,2]=3 72 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,0,0,0,0,0|2,0,2]=4 73 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,0,0,0,0,0|2,0,2]=4 74 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,0,0,0,0,0|1,0,2]=3 75 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,0,0,0,0,0|1,0,2]=3 76 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,0,0,0,0,0|1,0,2]=3 77 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,0,0,0,0,0|1,0,2]=3 78 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,0,0,0,0,0|1,0,3]=4 79 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,0,0,0,0,0|1,0,3]=4 80 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,0,0,0,0,0|1,0,3]=4 81 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,0,0,0,0,0|1,0,3]=4 82 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,0,0,0,0,0|1,0,3]=4 83 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,0,0,0,0,0|2,0,1]=3 84 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,0,0,0,0,0|2,0,1]=3 85 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,0,0,0,0,0|2,0,1]=3 86 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,0,0,0,0,0|2,0,1]=3 87 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,0,0,0,0,0|2,0,1]=3 90 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,0,0,0,0,0|2,0,1]=3 91 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,0,0,0,0,0|2,0,1]=3 92 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,0,0,0,0,0|2,0,1]=3 93 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,0,0,0,0,0|2,0,1]=3 94 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,0,0,0,0,0|2,0,1]=3 95 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,0,0,0,0,0|2,0,1]=3 98 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,0,0,0,0,0|2,0,1]=3 99 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,0,0,0,0,0|1,0,1]=2 100 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,0,0,0,0,0|2,0,2]=4 101 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,0,0,0,0,0|3,0,0]=3 102 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,0,0,0,0,0|4,0,0]=4 103 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,0,0,0,0,0|3,0,0]=3 104 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,0,0,0,0,0|3,0,0]=3 105 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,0,0,0,0,0|3,0,0]=3 106 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,0,0,0,0,0|2,0,1]=3 107 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,0,0,0,0,0|2,0,1]=3 108 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,0,0,0,0,0|2,0,1]=3 109 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,0,0,0,0,0|2,0,1]=3 110 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,0,0,0,0,0|2,0,1]=3 111 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,0,0,0,0,0|1,0,1]=2 112 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,0,0,0,0,0|1,0,1]=2 113 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,0,0,0,0,0|2,0,1]=3 115 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,0,0,0,0,0|2,0,1]=3 116 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,0,0,0,0,0|2,0,1]=3 117 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,0,0,0,0,0|2,0,1]=3 118 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,0,0,0,0,0|1,0,1]=2 119 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,0,0,0,0,0|1,0,1]=2 120 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,0,0,0,0,0|2,0,2]=4 124 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,0,0,0,0,0|1,0,2]=3 125 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,0,0,0,0,0|1,0,2]=3 126 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,0,0,0,0,0|2,0,0]=2 127 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,0,0,0,0,0|1,0,2]=3 132 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,0,0,0,0,0|1,0,2]=3 133 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,0,0,0,0,0|2,0,2]=4 135 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,0,0,0,0,0|1,0,2]=3 136 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,0,0,0,0,0|1,0,2]=3 137 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,0,0,0,0,0|2,0,1]=3 138 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,0,0,0,0,0|3,0,1]=4 141 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,0,0,0,0,0|3,0,1]=4 142 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,0,0,0,0,0|2,0,1]=3 143 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,0,0,0,0,0|1,0,0]=1 144 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,0,0,0,0,0|2,0,2]=4 145 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,0,0,0,0,0|1,0,2]=3 146 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,0,0,0,0,0|3,0,1]=4 147 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,0,0,0,0,0|3,0,1]=4 148 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,0,0,0,0,0|3,0,1]=4 149 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,0,0,0,0,0|3,0,1]=4 150 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,0,0,0,0,0|3,0,1]=4 153 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,0,0,0,0,0|3,0,1]=4 154 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,0,0,0,0,0|3,0,1]=4 156 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,0,0,0,0,0|2,0,1]=3 158 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,0,0,0,0,0|3,0,1]=4 159 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,0,0,0,0,0|3,0,1]=4 160 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,0,0,0,0,0|2,0,1]=3 161 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,0,0,0,0,0|1,0,0]=1 162 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,0,0,0,0,0|1,0,0]=1 163 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,0,0,0,0,0|2,0,2]=4 164 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,0,0,0,0,0|1,0,2]=3 166 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,0,0,0,0,0|1,0,2]=3 167 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,0,0,0,0,0|3,0,1]=4 170 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,0,0,0,0,0|3,0,1]=4 173 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,0,0,0,0,0|3,0,1]=4 174 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,0,0,0,0,0|3,0,1]=4 175 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,0,0,0,0,0|3,0,1]=4 176 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,0,0,0,0,0|3,0,1]=4 178 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,0,0,0,0,0|1,0,2]=3 179 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,0,0,0,0,0|2,0,1]=3 180 B10R0.74 CCNN=CC=CC(=O)OC 4a_100000756455_100016254430 [0,0,0,0,0,0|2,0,1]=3 181 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,0,0,0,0,0|1,0,2]=3 182 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,0,0,0,0,0|1,0,2]=3 183 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,0,0,0,0,0|1,0,2]=3 184 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,0,0,0,0,0|3,0,1]=4 185 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,0,0,0,0,0|3,0,1]=4 187 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,0,0,0,0,0|3,0,1]=4 190 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,0,0,0,0,0|3,0,1]=4 191 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,0,0,0,0,0|3,0,1]=4 192 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,0,0,0,0,0|3,0,1]=4 195 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,0,0,0,0,0|3,0,1]=4 196 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,0,0,0,0,0|3,0,1]=4 197 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,0,0,0,0,0|2,0,1]=3 198 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,0,0,0,0,0|2,0,1]=3 199 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,0,0,0,0,0|4,0,0]=4 200 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,0,0,0,0,0|4,0,0]=4 201 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,0,0,0,0,0|4,0,0]=4 202 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,0,0,0,0,0|4,0,0]=4 203 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,0,0,0,0,0|3,0,1]=4 205 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,0,0,0,0,0|3,0,1]=4 206 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,0,0,0,0,0|3,0,1]=4 207 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,0,0,0,0,0|3,0,1]=4 208 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,0,0,0,0,0|2,0,1]=3 209 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,0,0,0,0,0|2,0,1]=3 210 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,0,0,0,0,0|2,0,1]=3 211 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,0,0,0,0,0|3,0,1]=4 212 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,0,0,0,0,0|3,0,1]=4 213 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,0,0,0,0,0|3,0,1]=4 214 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,0,0,0,0,0|3,0,1]=4 215 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,0,0,0,0,0|2,0,1]=3 216 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,0,0,0,0,0|2,0,1]=3 217 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,0,0,0,0,0|2,0,2]=4 219 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,0,0,0,0,0|3,0,1]=4 220 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,0,0,0,0,0|1,0,2]=3 221 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,0,0,0,0,0|1,0,2]=3 222 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,0,0,0,0,0|3,0,1]=4 223 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,0,0,0,0,0|3,0,1]=4 224 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,0,0,0,0,0|2,0,1]=3 225 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,0,0,0,0,0|3,0,1]=4 226 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,0,0,0,0,0|3,0,1]=4 227 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,0,0,0,0,0|3,0,1]=4 228 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,0,0,0,0,0|3,0,1]=4 229 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,0,0,0,0,0|3,0,1]=4 230 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,0,0,0,0,0|2,0,1]=3 231 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,0,0,0,0,0|2,0,1]=3 232 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,0,0,0,0,0|2,0,1]=3 233 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,0,0,0,0,0|2,0,1]=3 234 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,0,0,0,0,0|3,0,1]=4 235 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,0,0,0,0,0|3,0,1]=4 236 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,0,0,0,0,0|3,0,1]=4 237 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,0,0,0,0,0|3,0,1]=4 238 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,0,0,0,0,0|2,0,1]=3 239 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,0,0,0,0,0|2,0,1]=3 240 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,0,0,0,0,0|2,0,2]=4 241 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,0,0,0,0,0|2,0,2]=4 242 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,0,0,0,0,0|2,0,2]=4 243 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,0,0,0,0,0|2,0,2]=4 244 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,0,0,0,0,0|2,0,2]=4 245 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,0,0,0,0,0|3,0,1]=4 246 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,0,0,0,0,0|3,0,1]=4 247 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,0,0,0,0,0|3,0,1]=4 248 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,0,0,0,0,0|3,0,1]=4 249 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,0,0,0,0,0|3,0,1]=4 250 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,0,0,0,0,0|3,0,1]=4 251 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,0,0,0,0,0|3,0,1]=4 252 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,0,0,0,0,0|3,0,1]=4 253 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,0,0,0,0,0|3,0,1]=4 254 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,0,0,0,0,0|3,0,1]=4 255 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,0,0,0,0,0|3,0,1]=4 256 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,0,0,0,0,0|3,0,1]=4 257 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,0,0,0,0,0|3,0,1]=4 258 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,0,0,0,0,0|3,0,1]=4 259 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,0,0,0,0,0|3,0,1]=4 260 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,0,0,0,0,0|3,0,1]=4 261 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,0,0,0,0,0|3,0,1]=4 262 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,0,0,0,0,0|3,0,1]=4 263 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,0,0,0,0,0|3,0,1]=4 264 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,0,0,0,0,0|3,0,1]=4 265 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,0,0,0,0,0|3,0,1]=4 266 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,0,0,0,0,0|3,0,1]=4 267 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,0,0,0,0,0|3,0,1]=4 268 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,0,0,0,0,0|3,0,1]=4 269 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,0,0,0,0,0|3,0,1]=4 270 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,0,0,0,0,0|3,0,1]=4 271 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,0,0,0,0,0|3,0,1]=4 272 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,0,0,0,0,0|3,0,1]=4 273 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,0,0,0,0,0|3,0,1]=4 274 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,0,0,0,0,0|3,0,1]=4 275 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,0,0,0,0,0|4,0,0]=4 277 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,0,0,0,0,0|4,0,0]=4 278 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,0,0,0,0,0|1,0,2]=3 279 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,0,0,0,0,0|1,0,2]=3 280 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,0,0,0,0,0|1,0,2]=3 281 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,0,0,0,0,0|3,0,1]=4 282 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,0,0,0,0,0|2,0,1]=3 283 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [0,0,0,0,0,0|2,0,0]=2 284 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [0,0,0,0,0,0|2,0,0]=2 285 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [0,0,0,0,0,0|2,0,0]=2 286 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [0,0,0,0,0,0|2,0,0]=2 287 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [0,0,0,0,0,0|2,0,0]=2 288 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100000742655_100011215382 [0,0,0,0,0,0|2,0,1]=3 289 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100011215382_100000742655 [0,0,0,0,0,0|2,0,1]=3 290 B10R0.74 COC(=O)/C=C/CSCC=O 62a_100000742655_200015260668 [0,0,0,0,0,0|2,0,1]=3 291 B10R0.74 COC(=O)/C=C/CSCC=O 62a_200015260668_100000742655 [0,0,0,0,0,0|2,0,1]=3 292 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [0,0,0,0,0,0|2,0,0]=2 293 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [0,0,0,0,0,0|2,0,0]=2 294 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [0,0,0,0,0,0|2,0,0]=2 295 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [0,0,0,0,0,0|2,0,0]=2 296 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [0,0,0,0,0,0|2,0,0]=2 297 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [0,0,0,0,0,0|2,0,0]=2 298 B10R0.74 COC(=O)C=NNCCC#N 4a_100000229987_200011823558 [0,0,0,0,0,0|3,0,1]=4 299 B10R0.74 COC(=O)CC=NNCCO 4a_100000210001_200011552997 [0,0,0,0,0,0|3,0,1]=4 300 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,0,0,0,0,0|1,0,2]=3 301 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,0,0,0,0,0|1,0,2]=3 302 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,0,0,0,0,0|1,0,2]=3 303 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,0,0,0,0,0|1,0,2]=3 304 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,0,0,0,0,0|1,0,2]=3 305 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,0,0,0,0,0|1,0,2]=3 306 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,0,0,0,0,0|2,0,2]=4 307 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,0,0,0,0,0|2,0,2]=4 308 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,0,0,0,0,0|2,0,2]=4 309 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,0,0,0,0,0|2,0,2]=4 310 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,0,0,0,0,0|2,0,2]=4 311 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,0,0,0,0,0|2,0,2]=4 312 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,0,0,0,0,0|2,0,2]=4 313 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,0,0,0,0,0|2,0,2]=4 314 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,0,0,0,0,0|2,0,2]=4 315 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,0,0,0,0,0|2,0,2]=4 316 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,0,0,0,0,0|2,0,2]=4 317 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,0,0,0,0,0|2,0,2]=4 318 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,0,0,0,0,0|2,0,2]=4 319 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,0,0,0,0,0|2,0,2]=4 320 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,0,0,0,0,0|2,0,2]=4 321 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,0,0,0,0,0|2,0,2]=4 322 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,0,0,0,0,0|2,0,2]=4 323 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,0,0,0,0,0|2,0,2]=4 324 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,0,0,0,0,0|2,0,2]=4 325 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,0,0,0,0,0|2,0,2]=4 326 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,0,0,0,0,0|2,0,2]=4 327 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,0,0,0,0,0|2,0,2]=4 328 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,0,0,0,0,0|2,0,2]=4 329 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,0,0,0,0,0|2,0,2]=4 330 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,0,0,0,0,0|2,0,2]=4 331 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,0,0,0,0,0|2,0,2]=4 332 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,0,0,0,0,0|2,0,2]=4 333 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,0,0,0,0,0|2,0,2]=4 334 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,0,0,0,0,0|2,0,2]=4 335 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,0,0,0,0,0|2,0,2]=4 336 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,0,0,0,0,0|2,0,1]=3 337 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,0,0,0,0,0|2,0,1]=3 338 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,0,0,0,0,0|2,0,1]=3 339 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,0,0,0,0,0|2,0,1]=3 340 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,0,0,0,0,0|2,0,1]=3 341 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,0,0,0,0,0|2,0,1]=3 342 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,0,0,0,0,0|2,0,1]=3 343 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,0,0,0,0,0|2,0,1]=3 344 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,0,0,0,0,0|2,0,1]=3 345 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,0,0,0,0,0|2,0,1]=3 346 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,0,0,0,0,0|2,0,1]=3 347 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,0,0,0,0,0|2,0,1]=3 348 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,0,0,0,0,0|3,0,1]=4 349 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,0,0,0,0,0|3,0,1]=4 350 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,0,0,0,0,0|2,0,2]=4 351 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,0,0,0,0,0|2,0,2]=4 352 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,0,0,0,0,0|2,0,2]=4 353 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,0,0,0,0,0|2,0,2]=4 354 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,0,0,0,0,0|2,0,1]=3 355 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,0,0,0,0,0|2,0,1]=3 356 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,0,0,0,0,0|2,0,1]=3 357 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,0,0,0,0,0|2,0,1]=3 358 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,0,0,0,0,0|3,0,1]=4 359 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,0,0,0,0,0|3,0,1]=4 360 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,0,0,0,0,0|3,0,1]=4 361 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,0,0,0,0,0|3,0,1]=4 362 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,0,0,0,0,0|3,0,1]=4 363 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,0,0,0,0,0|3,0,1]=4 364 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,0,0,0,0,0|3,0,1]=4 365 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,0,0,0,0,0|3,0,1]=4 366 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,0,0,0,0,0|3,0,1]=4 367 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,0,0,0,0,0|1,0,2]=3 368 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,0,0,0,0,0|1,0,2]=3 369 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,0,0,0,0,0|1,0,2]=3 370 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,0,0,0,0,0|2,0,1]=3 371 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,0,0,0,0,0|2,0,1]=3 372 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,0,0,0,0,0|2,0,1]=3 373 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,0,0,0,0,0|2,0,1]=3 374 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,0,0,0,0,0|2,0,2]=4 375 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,0,0,0,0,0|2,0,2]=4 376 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,0,0,0,0,0|2,0,2]=4 377 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,0,0,0,0,0|2,0,2]=4 378 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,0,0,0,0,0|3,0,1]=4 379 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [0,0,0,0,0,0|2,0,0]=2 380 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [0,0,0,0,0,0|2,0,0]=2 381 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,0,0,0,0,0|2,0,2]=4 382 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,0,0,0,0,0|2,0,2]=4 383 B9R0.2 C=C(C)C=NNCCCC 4a_100025702795_100000210575 [1,0,0,0,0,0|3,0,0]=4 384 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|2,0,1]=4 385 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|2,0,1]=4 386 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|2,0,1]=4 387 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|2,0,1]=4 388 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|2,0,1]=4 389 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|2,0,1]=4 390 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|1,0,2]=4 391 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,2]=4 392 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,2]=4 393 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,0,0,0,0,0|2,0,1]=4 394 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|2,0,1]=4 395 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,1]=4 396 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|2,0,1]=4 397 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|2,0,1]=4 398 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|2,0,1]=4 400 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|2,0,1]=4 401 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|2,0,1]=4 402 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|2,0,1]=4 403 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|2,0,1]=4 404 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [1,0,0,0,0,0|0,0,2]=3 405 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [1,0,0,0,0,0|0,0,2]=3 406 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|0,0,2]=3 407 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|0,0,2]=3 408 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [1,0,0,0,0,0|2,0,1]=4 409 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,0,0,0,0|0,0,2]=3 410 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,0,0,0,0|0,0,2]=3 411 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|0,0,0]=1 412 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|0,0,0]=1 413 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|0,0,2]=3 414 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|0,0,2]=3 415 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|0,0,2]=3 416 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|1,0,1]=3 417 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|1,0,1]=3 418 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|1,0,1]=3 419 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|1,0,1]=3 420 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|2,0,1]=4 421 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|2,0,1]=4 422 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|1,0,1]=3 423 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,0,0,0,0|2,0,0]=3 424 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|1,0,1]=3 425 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|2,0,1]=4 426 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|2,0,1]=4 427 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|1,0,2]=4 428 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|2,0,1]=4 429 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|2,0,1]=4 430 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|1,0,2]=4 431 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|1,0,2]=4 432 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,0,0,0,0|2,0,1]=4 433 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,0,0,0,0|2,0,1]=4 434 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,0,0,0,0|2,0,1]=4 435 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|1,0,2]=4 436 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,0,0,0,0|2,0,1]=4 437 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 438 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|2,0,1]=4 439 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 440 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|1,0,2]=4 441 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|1,0,2]=4 442 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|1,0,2]=4 443 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|1,0,2]=4 444 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|2,0,1]=4 445 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,0,0,0,0|2,0,1]=4 446 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,0,0,0,0|2,0,1]=4 447 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|1,0,2]=4 448 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|1,0,2]=4 449 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|2,0,1]=4 450 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|2,0,1]=4 451 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|2,0,1]=4 452 B9R0.2 CCCNN=CC=C(C)C 4a_100000740057_100011215525 [1,0,0,0,0,0|3,0,0]=4 453 B9R0.2 CCCOC/C=C/B(O)O 34a_100000210258_100016262062 [1,0,0,0,0,0|2,0,1]=4 454 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|2,0,1]=4 455 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|1,0,2]=4 456 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|1,0,2]=4 457 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|1,0,2]=4 458 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|2,0,1]=4 459 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|2,0,1]=4 460 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|2,0,1]=4 461 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|2,0,1]=4 462 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|2,0,1]=4 463 B9R0.2 CCCSC/C=C/B(O)O 62a_100000210303_100016262062 [1,0,0,0,0,0|2,0,1]=4 464 B9R0.2 CCCSC/C=C/B(O)O 62a_100016262062_100000210303 [1,0,0,0,0,0|2,0,1]=4 465 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|2,0,1]=4 466 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|2,0,1]=4 467 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|1,0,2]=4 468 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|1,0,2]=4 469 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|2,0,1]=4 470 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|2,0,1]=4 471 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|2,0,1]=4 472 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|2,0,1]=4 473 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|2,0,1]=4 474 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|2,0,1]=4 475 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|2,0,1]=4 476 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|2,0,1]=4 477 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|2,0,1]=4 478 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,0,0,0,0|2,0,1]=4 479 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|1,0,2]=4 480 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|2,0,1]=4 481 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|2,0,1]=4 482 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|2,0,1]=4 483 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|2,0,1]=4 484 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|2,0,1]=4 485 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|2,0,1]=4 486 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|2,0,1]=4 487 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,0,0,0,0|2,0,1]=4 488 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,0,0,0,0,0|3,0,0]=4 489 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|1,0,2]=4 491 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|1,0,2]=4 492 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|2,0,1]=4 493 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|2,0,1]=4 494 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|2,0,1]=4 495 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|2,0,1]=4 496 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,0,0,0,0|2,0,1]=4 497 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,0,0,0,0,0|2,0,1]=4 498 B9R0.2 CNCCC/C=C/B(O)O 2230a_106832991635_200016261450 [1,0,0,0,0,0|2,0,1]=4 499 B9R0.2 CNCCC/C=C/B(O)O 34a_100102657272_200016261450 [1,0,0,0,0,0|2,0,1]=4 500 B9R0.2 CNCCC/C=C/B(O)O 7a_106832991635_200016261450 [1,0,0,0,0,0|2,0,1]=4 501 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|2,0,1]=4 502 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|2,0,1]=4 503 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|2,0,1]=4 504 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|2,0,1]=4 505 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|2,0,1]=4 506 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|2,0,1]=4 507 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|2,0,1]=4 508 B9R0.2 COCCC/C=C/B(O)O 34a_100138415774_200016261450 [1,0,0,0,0,0|2,0,1]=4 509 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|1,0,2]=4 510 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|1,0,2]=4 511 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|2,0,1]=4 512 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|2,0,1]=4 514 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|2,0,1]=4 515 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|2,0,1]=4 516 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [1,0,0,0,0,0|3,0,0]=4 517 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|2,0,1]=4 518 B9R0.2 CSCCC/C=C/B(O)O 62a_200000210301_200016261450 [1,0,0,0,0,0|2,0,1]=4 519 B9R0.2 CSCCC/C=C/B(O)O 62a_200016261450_200000210301 [1,0,0,0,0,0|2,0,1]=4 520 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|2,0,1]=4 521 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|2,0,1]=4 522 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|2,0,1]=4 523 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|2,0,1]=4 524 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|2,0,1]=4 525 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|2,0,1]=4 526 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,2]=4 527 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200016261450_200025704644 [1,0,0,0,0,0|2,0,1]=4 528 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200025704644_200016261450 [1,0,0,0,0,0|2,0,1]=4 529 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,0,0,0,0,0|2,0,0]=3 530 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [1,0,0,0,0,0|3,0,0]=4 531 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [1,0,0,0,0,0|3,0,0]=4 532 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [1,0,0,0,0,0|3,0,0]=4 533 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|2,0,1]=4 534 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|2,0,1]=4 535 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|2,0,1]=4 536 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|2,0,1]=4 537 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|2,0,1]=4 538 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [1,0,0,0,0,0|0,0,3]=4 539 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [1,0,0,0,0,0|0,0,3]=4 540 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [1,0,0,0,0,0|0,0,3]=4 541 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [1,0,0,0,0,0|0,0,3]=4 542 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|2,0,1]=4 543 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|2,0,1]=4 544 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|2,0,1]=4 545 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|2,0,1]=4 546 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|2,0,1]=4 547 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|2,0,1]=4 548 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|2,0,1]=4 549 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|2,0,1]=4 550 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|2,0,1]=4 551 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|2,0,1]=4 552 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|2,0,1]=4 553 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|2,0,1]=4 554 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|2,0,1]=4 555 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|2,0,1]=4 556 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|2,0,1]=4 557 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|2,0,1]=4 558 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|2,0,1]=4 559 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|2,0,1]=4 560 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|2,0,1]=4 561 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|2,0,1]=4 562 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|2,0,1]=4 563 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|2,0,1]=4 564 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|2,0,1]=4 565 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [1,0,0,0,0,0|0,0,3]=4 566 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [1,0,0,0,0,0|0,0,3]=4 567 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,0,0,0,0|2,0,1]=4 568 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,0,0,0,0|2,0,1]=4 569 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [1,0,0,0,0,0|3,0,0]=4 570 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|3,0,0]=4 571 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,0,0,0,0,0|0,0,3]=4 572 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,0,0,0,0,0|0,0,3]=4 573 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,0,0,0,0,0|0,0,3]=4 574 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,0,0,0,0,0|0,0,3]=4 575 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|0,0,1]=2 576 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|0,0,1]=2 577 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|0,0,1]=2 578 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|0,0,1]=2 579 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,0,0,0,0,0|0,0,3]=4 580 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,0,0,0,0,0|0,0,3]=4 581 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,0,0,0,0,0|0,0,3]=4 582 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,0,0,0,0,0|0,0,3]=4 583 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,0,0,0,0,0|0,0,3]=4 584 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,0,0,0,0,0|3,0,0]=4 585 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|0,0,3]=4 586 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|0,0,3]=4 587 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|0,0,3]=4 588 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|0,0,3]=4 589 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|0,0,3]=4 590 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|1,0,2]=4 591 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|1,0,2]=4 592 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|1,0,2]=4 593 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|1,0,2]=4 594 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|1,0,2]=4 595 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|1,0,2]=4 596 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|1,0,2]=4 597 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|1,0,2]=4 598 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|1,0,2]=4 599 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|1,0,2]=4 600 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|1,0,2]=4 601 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|1,0,2]=4 602 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|1,0,2]=4 603 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|1,0,2]=4 604 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|1,0,2]=4 605 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|1,0,2]=4 606 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [1,0,0,0,0,0|1,0,2]=4 607 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,0,0,0,0,0|1,0,2]=4 608 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [1,0,0,0,0,0|2,0,1]=4 609 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [1,0,0,0,0,0|2,0,1]=4 610 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,0,0,0,0|2,0,1]=4 611 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,0,0,0,0|2,0,1]=4 612 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,0,0,0,0|2,0,1]=4 613 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,0,0,0,0|2,0,1]=4 614 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,0,0,0,0,0|3,0,0]=4 615 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,0,0,0,0,0|3,0,0]=4 616 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,0,0,0,0,0|3,0,0]=4 617 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,0,0,0,0,0|3,0,0]=4 618 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,0,0,0,0,0|3,0,0]=4 619 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,0,0,0,0,0|3,0,0]=4 620 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,0,0,0,0,0|3,0,0]=4 621 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,0,0,0,0,0|3,0,0]=4 622 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,0,0,0,0,0|3,0,0]=4 623 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,0,0,0,0,0|1,0,2]=4 624 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [1,0,0,0,0,0|1,0,2]=4 625 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 626 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 627 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 628 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,0,0,0,0,0|1,0,0]=2 629 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [1,0,0,0,0,0|2,0,0]=3 630 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,0,0,0,0,0|1,0,0]=2 631 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,0,0,0,0,0|1,0,0]=2 632 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,0,0,0,0,0|1,0,0]=2 633 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,0,0,0,0|1,0,1]=3 634 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,0,0,0,0|1,0,1]=3 635 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,0,0,0,0|2,0,1]=4 636 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,0,0,0,0|2,0,1]=4 637 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,0,0,0,0|1,0,1]=3 638 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,0,0,0,0|1,0,1]=3 639 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,0,0,0,0|1,0,1]=3 640 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,0,0,0,0|1,0,1]=3 641 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,0,0,0,0,0|1,0,2]=4 642 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,0,0,0,0,0|1,0,2]=4 643 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,0,0,0,0,0|1,0,2]=4 644 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,0,0,0,0,0|1,0,2]=4 645 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,0,0,0,0,0|1,0,2]=4 646 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,0,0,0,0|2,0,0]=3 647 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,0,0,0,0|2,0,0]=3 648 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,0,0,0,0|2,0,0]=3 649 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,0,0,0,0|2,0,0]=3 650 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,0,0,0,0|3,0,0]=4 651 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,0,0,0,0|3,0,0]=4 652 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,0,0,0,0|2,0,0]=3 653 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 654 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 655 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 656 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 657 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,0,0,0,0|2,0,0]=3 658 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [1,0,0,0,0,0|2,0,1]=4 659 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [1,0,0,0,0,0|2,0,1]=4 660 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,0,0,0,0|2,0,1]=4 661 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [1,0,0,0,0,0|2,0,1]=4 662 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [1,0,0,0,0,0|2,0,1]=4 663 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [1,0,0,0,0,0|2,0,1]=4 664 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,0,0,0,0,0|1,0,1]=3 665 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,0,0,0,0,0|1,0,1]=3 666 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,0,0,0,0,0|3,0,0]=4 667 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [1,0,0,0,0,0|3,0,0]=4 668 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [1,0,0,0,0,0|3,0,0]=4 669 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [1,0,0,0,0,0|3,0,0]=4 670 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,0,0,0,0|2,0,1]=4 671 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,0,0,0,0|2,0,1]=4 672 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,0,0,0,0|2,0,1]=4 673 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,0,0,0,0|2,0,1]=4 674 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,0,0,0,0,0|2,0,1]=4 675 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,0,0,0,0,0|2,0,1]=4 676 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,0,0,0,0,0|2,0,1]=4 677 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,0,0,0,0,0|2,0,1]=4 678 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,0,0,0,0,0|2,0,1]=4 679 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,0,0,0,0,0|2,0,1]=4 680 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,0,0,0,0,0|2,0,1]=4 681 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,0,0,0,0,0|1,0,1]=3 682 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,0,0,0,0,0|1,0,1]=3 683 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,0,0,0,0|2,0,1]=4 684 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,0,0,0,0|2,0,1]=4 685 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,0,0,0,0|2,0,1]=4 686 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [1,0,0,0,0,0|2,0,1]=4 687 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [1,0,0,0,0,0|2,0,1]=4 688 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [1,0,0,0,0,0|2,0,1]=4 689 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [1,0,0,0,0,0|2,0,1]=4 690 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [1,0,0,0,0,0|2,0,1]=4 691 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [1,0,0,0,0,0|2,0,1]=4 692 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,0,0,0,0,0|1,0,1]=3 693 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,0,0,0,0,0|1,0,1]=3 694 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,0,0,0,0,0|2,0,1]=4 695 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,0,0,0,0,0|2,0,1]=4 696 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [1,0,0,0,0,0|2,0,0]=3 697 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,0,0,0,0|2,0,1]=4 698 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,0,0,0,0,0|2,0,1]=4 699 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,0,0,0,0,0|2,0,1]=4 700 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,0,0,0,0,0|1,0,1]=3 701 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,0,0,0,0,0|2,0,1]=4 702 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,0,0,0,0,0|2,0,1]=4 703 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,0,0,0,0,0|1,0,1]=3 704 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,0,0,0,0,0|1,0,1]=3 705 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,0,0,0,0,0|2,0,0]=3 706 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [1,0,0,0,0,0|1,0,0]=2 707 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,0,0,0,0,0|2,0,1]=4 708 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,0,0,0,0,0|2,0,1]=4 709 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,0,0,0,0,0|2,0,1]=4 710 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,0,0,0,0,0|1,0,1]=3 711 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,0,0,0,0|3,0,0]=4 712 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,0,0,0,0,0|3,0,0]=4 713 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [1,0,0,0,0,0|2,0,1]=4 714 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [1,0,0,0,0,0|1,0,0]=2 715 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,0,0,0,0|2,0,1]=4 716 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,0,0,0,0,0|2,0,1]=4 717 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,0,0,0,0,0|1,0,1]=3 718 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,0,0,0,0,0|3,0,0]=4 719 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,0,0,0,0,0|3,0,0]=4 720 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,0,0,0,0,0|3,0,0]=4 721 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,0,0,0,0,0|3,0,0]=4 722 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,0,0,0,0,0|3,0,0]=4 723 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,0,0,0,0,0|3,0,0]=4 724 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,0,0,0,0,0|3,0,0]=4 725 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,0,0,0,0,0|3,0,0]=4 726 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,0,0,0,0,0|3,0,0]=4 727 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,0,0,0,0,0|3,0,0]=4 728 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,0,0,0,0,0|3,0,0]=4 729 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,0,0,0,0,0|3,0,0]=4 730 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,0,0,0,0,0|2,0,0]=3 731 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,0,0,0,0,0|3,0,0]=4 732 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,0,0,0,0|3,0,0]=4 733 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,0,0,0,0,0|2,0,0]=3 734 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [1,0,0,0,0,0|2,0,1]=4 735 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [1,0,0,0,0,0|2,0,1]=4 736 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [1,0,0,0,0,0|1,0,0]=2 737 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [1,0,0,0,0,0|1,0,0]=2 738 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,0,0,0,0,0|2,0,1]=4 739 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,0,0,0,0,0|2,0,1]=4 740 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,0,0,0,0,0|1,0,1]=3 741 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,0,0,0,0,0|1,0,1]=3 742 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,0,0,0,0,0|3,0,0]=4 743 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,0,0,0,0,0|3,0,0]=4 744 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,0,0,0,0,0|3,0,0]=4 745 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,0,0,0,0,0|3,0,0]=4 746 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,0,0,0,0,0|3,0,0]=4 747 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 748 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 749 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 750 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 751 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,0,0,0,0,0|3,0,0]=4 752 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,0,0,0,0|3,0,0]=4 753 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,0,0,0,0|3,0,0]=4 754 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,0,0,0,0,0|2,0,1]=4 755 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,0,0,0,0,0|3,0,0]=4 756 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 757 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 758 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 759 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 760 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,0,0,0,0,0|3,0,0]=4 761 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 762 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [1,0,0,0,0,0|3,0,0]=4 763 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 764 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [1,0,0,0,0,0|3,0,0]=4 765 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [1,0,0,0,0,0|3,0,0]=4 766 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [1,0,0,0,0,0|3,0,0]=4 767 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 768 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 769 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 770 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 771 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [1,0,0,0,0,0|3,0,0]=4 772 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,0,0,0,0,0|1,0,1]=3 773 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,0,0,0,0,0|1,0,1]=3 774 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,0,0,0,0,0|1,0,1]=3 775 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [1,0,0,0,0,0|2,0,1]=4 776 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [1,0,0,0,0,0|2,0,1]=4 777 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [1,0,0,0,0,0|2,0,1]=4 778 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [1,0,0,0,0,0|2,0,0]=3 779 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [1,0,0,0,0,0|2,0,0]=3 780 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [1,0,0,0,0,0|3,0,0]=4 781 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,0,0,0,0,0|1,0,1]=3 782 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,0,0,0,0,0|1,0,1]=3 783 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,0,0,0,0,0|1,0,1]=3 784 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,0,0,0,0,0|1,0,1]=3 785 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,0,0,0,0,0|1,0,1]=3 786 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,0,0,0,0,0|1,0,1]=3 787 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [1,0,0,0,0,0|2,0,1]=4 788 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [1,0,0,0,0,0|2,0,1]=4 789 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [1,0,0,0,0,0|2,0,1]=4 790 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [1,0,0,0,0,0|2,0,1]=4 791 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [1,0,0,0,0,0|2,0,1]=4 792 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [1,0,0,0,0,0|2,0,1]=4 793 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [1,0,0,0,0,0|2,0,1]=4 794 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [1,0,0,0,0,0|2,0,1]=4 795 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [1,0,0,0,0,0|2,0,1]=4 796 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [1,0,0,0,0,0|2,0,1]=4 797 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [1,0,0,0,0,0|2,0,1]=4 798 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [1,0,0,0,0,0|2,0,1]=4 799 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [1,0,0,0,0,0|2,0,1]=4 800 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [1,0,0,0,0,0|2,0,1]=4 801 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [1,0,0,0,0,0|2,0,1]=4 802 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [1,0,0,0,0,0|2,0,1]=4 803 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [1,0,0,0,0,0|2,0,1]=4 804 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [1,0,0,0,0,0|2,0,1]=4 805 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [1,0,0,0,0,0|2,0,1]=4 806 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [1,0,0,0,0,0|2,0,1]=4 807 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [1,0,0,0,0,0|2,0,1]=4 808 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [1,0,0,0,0,0|2,0,1]=4 809 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [1,0,0,0,0,0|2,0,1]=4 810 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [1,0,0,0,0,0|2,0,1]=4 811 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [1,0,0,0,0,0|2,0,1]=4 812 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [1,0,0,0,0,0|2,0,1]=4 813 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [1,0,0,0,0,0|2,0,1]=4 814 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [1,0,0,0,0,0|2,0,1]=4 815 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [1,0,0,0,0,0|2,0,1]=4 816 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [1,0,0,0,0,0|2,0,1]=4 817 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [1,0,0,0,0,0|2,0,1]=4 818 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [1,0,0,0,0,0|2,0,1]=4 819 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [1,0,0,0,0,0|3,0,0]=4 820 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [1,0,0,0,0,0|3,0,0]=4 821 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [1,0,0,0,0,0|3,0,0]=4 822 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [1,0,0,0,0,0|3,0,0]=4 823 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [1,0,0,0,0,0|3,0,0]=4 824 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,0,0,0,0,0|1,0,1]=3 825 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,0,0,0,0,0|1,0,1]=3 826 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,0,0,0,0,0|1,0,1]=3 827 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [1,0,0,0,0,0|2,0,1]=4 828 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [1,0,0,0,0,0|2,0,1]=4 829 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [1,0,0,0,0,0|2,0,1]=4 830 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [1,0,0,0,0,0|2,0,1]=4 831 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [1,0,0,0,0,0|2,0,1]=4 832 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [1,0,0,0,0,0|2,0,1]=4 833 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [1,0,0,0,0,0|2,0,1]=4 834 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [1,0,0,0,0,0|3,0,0]=4 835 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,1,0,0,0,0|1,0,1]=3 836 B11R0.4 C#CCNC/C=C/C(=O)OCC 34a_100000212058_100016267167 [0,1,0,0,0,0|1,0,2]=4 837 B11R0.4 C#CCOC/C=C/C(=O)OCC 34a_100000210247_100016267167 [0,1,0,0,0,0|1,0,2]=4 838 B11R0.4 C#CCSC/C=C/C(=O)OCC 62a_100000038162_100016267167 [0,1,0,0,0,0|1,0,2]=4 839 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,1,0,0,0,0|1,0,1]=3 840 B11R0.4 C=CCNC/C=C/C(=O)OCC 2230a_100020586998_100016267167 [0,1,0,0,0,0|1,0,2]=4 841 B11R0.4 C=CCOC/C=C/C(=O)OCC 34a_200000210373_100016267167 [0,1,0,0,0,0|1,0,2]=4 842 B11R0.4 C=CCSC/C=C/C(=O)OCC 62a_100000210623_100016267167 [0,1,0,0,0,0|1,0,2]=4 843 B11R0.4 C=CCSC/C=C/C(=O)OCC 62a_100016267167_100000210623 [0,1,0,0,0,0|1,0,2]=4 844 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,1,0,0,0,0|1,0,2]=4 845 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,1,0,0,0,0|1,0,2]=4 846 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,1,0,0,0,0|1,0,2]=4 847 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,1,0,0,0,0|1,0,2]=4 848 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,1,0,0,0,0|1,0,2]=4 849 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,1,0,0,0,0|3,0,0]=4 850 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|1,0,2]=4 851 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,1,0,0,0,0|2,0,1]=4 852 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,1,0,0,0,0|2,0,1]=4 853 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,1,0,0,0,0|2,0,1]=4 854 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,1,0,0,0,0|3,0,0]=4 855 B11R0.4 CCC/C=C/C=CC(=O)CCC 1458a_200016258893_100000210303 [0,1,0,0,0,0|1,0,2]=4 856 B11R0.4 CCC/C=C/C=CC(=O)CCF 1458a_200016258893_100011217306 [0,1,0,0,0,0|1,0,2]=4 857 B11R0.4 CCC/C=C/C=CC(=O)CCO 1458a_200016258893_100000211926 [0,1,0,0,0,0|1,0,2]=4 858 B11R0.4 CCC/C=C/C=CC(=O)NCC 11a_100015525214_200016258893 [0,1,0,0,0,0|1,0,2]=4 859 B11R0.4 CCC/C=C/C=CC(=O)NCC 240690a_100015525214_200016258893 [0,1,0,0,0,0|1,0,2]=4 860 B11R0.4 CCC/C=C/C=CC(=O)NNC 22a_100016993582_200016258893 [0,1,0,0,0,0|1,0,2]=4 861 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,1,0,0,0,0|1,0,2]=4 862 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,1,0,0,0,0|1,0,2]=4 863 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,1,0,0,0,0|1,0,2]=4 864 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 865 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 866 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 867 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,1,0,0,0,0|1,0,2]=4 868 B11R0.4 CCCCC=NNC(=O)COC 4a_100000216845_100000210104 [0,1,0,0,0,0|2,0,1]=4 869 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,1,0,0,0,0|1,0,2]=4 870 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,1,0,0,0,0|1,0,2]=4 871 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,0,0,0,0|1,0,2]=4 872 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,1,0,0,0,0|1,0,2]=4 873 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,1,0,0,0,0|1,0,2]=4 874 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,1,0,0,0,0|1,0,1]=3 875 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,1,0,0,0,0|1,0,0]=2 876 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,1,0,0,0,0|1,0,0]=2 877 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|1,0,0]=2 878 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,0,0,0,0|1,0,0]=2 879 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,0,0,0,0|1,0,0]=2 880 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,1,0,0,0,0|1,0,0]=2 881 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|1,0,2]=4 882 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|1,0,2]=4 883 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|1,0,2]=4 884 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|1,0,2]=4 885 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|1,0,2]=4 886 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|0,0,2]=3 887 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|0,1,2]=4 888 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|1,0,2]=4 889 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|1,0,2]=4 890 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|1,0,2]=4 891 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,1,0,0,0,0|1,0,2]=4 892 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|2,0,1]=4 893 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|2,0,1]=4 894 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|2,0,1]=4 895 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|2,0,1]=4 896 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|2,0,1]=4 897 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,0,0,0,0|2,0,1]=4 898 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,0,0,0,0|2,0,1]=4 899 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,0,0,0,0|2,0,1]=4 900 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,0,0,0,0|1,0,1]=3 901 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,0,0,0,0|1,0,1]=3 902 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,0,0,0,0|1,0,1]=3 903 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,0,0,0,0|1,0,1]=3 904 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,0,0,0,0|1,0,1]=3 905 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,0,0,0,0|1,1,1]=4 906 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,0,0,0,0|1,1,1]=4 907 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,0,0,0,0|1,1,1]=4 908 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,0,0,0,0|1,1,1]=4 909 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,0,0,0,0|1,1,1]=4 910 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,0,0,0,0|1,1,1]=4 911 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,0,0,0,0|2,0,1]=4 912 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,0,0,0,0|2,0,1]=4 913 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,0,0,0,0|2,0,1]=4 914 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,0,0,0,0|2,0,1]=4 915 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,0,0,0,0|2,0,1]=4 916 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,0,0,0,0|2,0,1]=4 917 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,1,0,0,0,0|2,0,1]=4 918 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,1,0,0,0,0|2,0,1]=4 919 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,1,0,0,0,0|2,0,1]=4 920 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,0,0,0,0|2,0,1]=4 921 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,1,0,0,0,0|2,0,1]=4 922 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,1,0,0,0,0|2,0,1]=4 923 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,1,0,0,0,0|2,0,1]=4 924 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,1,0,0,0,0|1,0,1]=3 925 B11R0.4 CCCCCNN=C(C)COC 4a_100000694160_100000749346 [0,1,0,0,0,0|3,0,0]=4 926 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,1,0,0,0,0|3,0,0]=4 927 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,0,0,0,0|3,0,0]=4 928 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,1,0,0,0,0|2,0,0]=3 929 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,1,0,0,0,0|2,1,0]=4 930 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,1,0,0,0,0|3,0,0]=4 931 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,1,0,0,0,0|3,0,0]=4 932 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,1,0,0,0,0|3,0,0]=4 933 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,1,0,0,0,0|3,0,0]=4 934 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,1,0,0,0,0|3,0,0]=4 935 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,0,0,0,0|2,0,1]=4 936 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,1,0,0,0,0|2,0,1]=4 937 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,1,0,0,0,0|2,0,1]=4 938 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,0,0,0,0|2,0,1]=4 939 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,0,0,0,0|2,0,1]=4 940 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,1,0,0,0,0|1,0,1]=3 941 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,1,0,0,0,0|1,0,1]=3 942 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,0,0,0,0|2,0,1]=4 943 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,0,0,0,0|2,0,1]=4 944 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,1,0,0,0,0|2,0,1]=4 945 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,1,0,0,0,0|2,0,1]=4 946 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,1,0,0,0,0|2,0,1]=4 947 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,1,0,0,0,0|2,0,1]=4 948 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,1,0,0,0,0|1,0,1]=3 949 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,1,0,0,0,0|1,0,1]=3 950 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,1,0,0,0,0|1,0,2]=4 951 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,1,0,0,0,0|1,0,2]=4 952 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,1,0,0,0,0|2,0,0]=3 953 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,1,0,0,0,0|1,0,2]=4 954 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,1,0,0,0,0|1,0,2]=4 955 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,1,0,0,0,0|1,0,2]=4 956 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,1,0,0,0,0|1,0,2]=4 957 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,1,0,0,0,0|1,0,2]=4 958 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,1,0,0,0,0|2,0,1]=4 959 B11R0.4 CCCNN=C[CH-]C(=O)OCC 4a_100000740057_100010622808 [0,1,0,0,0,0|2,0,1]=4 960 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,1,0,0,0,0|1,0,0]=2 961 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,0,0,0,0|1,0,2]=4 962 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,0,0,0,0|1,0,2]=4 963 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,0,0,0,0|2,0,1]=4 964 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,0,0,0,0|2,0,1]=4 965 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,0,0,0,0|2,0,1]=4 966 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,1,0,0,0,0|2,0,1]=4 967 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,1,0,0,0,0|1,0,0]=2 968 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,1,0,0,0,0|1,0,0]=2 969 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,0,0,0,0|1,0,2]=4 970 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,0,0,0,0|1,0,2]=4 971 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,0,0,0,0|2,0,1]=4 972 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,0,0,0,0|2,0,1]=4 973 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,0,0,0,0|2,0,1]=4 974 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,1,0,0,0,0|2,0,1]=4 975 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,0,0,0,0|1,0,2]=4 976 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,1,0,0,0,0|2,0,1]=4 977 B11R0.4 CCNN=CC=CC(=O)OCC 4a_100000756455_100016289910 [0,1,0,0,0,0|2,0,1]=4 978 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [0,1,0,0,0,0|2,0,0]=3 979 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [0,1,0,0,0,0|2,0,0]=3 980 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [0,1,0,0,0,0|2,0,0]=3 981 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [0,1,0,0,0,0|2,0,0]=3 982 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [0,1,0,0,0,0|2,0,0]=3 983 B11R0.4 CCOC(=O)/C=C/CSCC#N 62a_100011215382_100016267167 [0,1,0,0,0,0|2,0,1]=4 984 B11R0.4 CCOC(=O)/C=C/CSCC#N 62a_100016267167_100011215382 [0,1,0,0,0,0|2,0,1]=4 985 B11R0.4 CCOC(=O)/C=C/CSCC=O 62a_100016267167_200015260668 [0,1,0,0,0,0|2,0,1]=4 986 B11R0.4 CCOC(=O)/C=C/CSCC=O 62a_200015260668_100016267167 [0,1,0,0,0,0|2,0,1]=4 987 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [0,1,0,0,0,0|2,0,0]=3 988 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [0,1,0,0,0,0|2,0,0]=3 989 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [0,1,0,0,0,0|2,0,0]=3 990 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [0,1,0,0,0,0|2,0,0]=3 991 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [0,1,0,0,0,0|2,0,0]=3 992 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [0,1,0,0,0,0|2,0,0]=3 993 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [0,1,0,0,0,0|2,0,0]=3 994 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [0,1,0,0,0,0|2,0,0]=3 995 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,1,0,0,0,0|1,0,2]=4 996 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,1,0,0,0,0|1,0,2]=4 997 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,1,0,0,0,0|1,0,2]=4 998 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,1,0,0,0,0|1,0,2]=4 999 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,1,0,0,0,0|1,0,2]=4 1000 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,1,0,0,0,0|1,0,2]=4 1001 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,1,0,0,0,0|1,0,2]=4 1002 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,1,0,0,0,0|1,0,2]=4 1003 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,1,0,0,0,0|1,0,2]=4 1004 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,1,0,0,0,0|1,0,2]=4 1005 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,0,0,0,0|1,0,2]=4 1006 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,0,0,0,0|1,0,2]=4 1007 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,1,0,0,0,0|2,0,1]=4 1008 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,1,0,0,0,0|2,0,1]=4 1009 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,1,0,0,0,0|2,0,1]=4 1010 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,1,0,0,0,0|2,0,1]=4 1011 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,1,0,0,0,0|2,0,1]=4 1012 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,1,0,0,0,0|2,0,1]=4 1013 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,1,0,0,0,0|2,0,1]=4 1014 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,1,0,0,0,0|2,0,1]=4 1015 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,1,0,0,0,0|2,0,1]=4 1016 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,1,0,0,0,0|2,0,1]=4 1017 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,1,0,0,0,0|2,0,1]=4 1018 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,1,0,0,0,0|2,0,1]=4 1019 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,1,0,0,0,0|2,0,1]=4 1020 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,1,0,0,0,0|2,0,1]=4 1021 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,1,0,0,0,0|2,0,1]=4 1022 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,1,0,0,0,0|2,0,1]=4 1023 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,1,0,0,0,0|2,0,1]=4 1024 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,1,0,0,0,0|2,0,1]=4 1025 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,1,0,0,0,0|2,0,1]=4 1026 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,1,0,0,0,0|2,0,1]=4 1027 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,1,0,0,0,0|2,0,1]=4 1028 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,1,0,0,0,0|2,0,1]=4 1029 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,1,0,0,0,0|2,0,1]=4 1030 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,1,0,0,0,0|2,0,1]=4 1031 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,1,0,0,0,0|2,0,1]=4 1032 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,1,0,0,0,0|2,0,1]=4 1033 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,1,0,0,0,0|2,0,1]=4 1034 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,1,0,0,0,0|2,0,1]=4 1035 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,1,0,0,0,0|2,0,1]=4 1036 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,1,0,0,0,0|2,0,1]=4 1037 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,1,0,0,0,0|2,0,1]=4 1038 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,1,0,0,0,0|2,0,1]=4 1039 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,1,0,0,0,0|2,0,1]=4 1040 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,1,0,0,0,0|2,0,1]=4 1041 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,1,0,0,0,0|2,0,1]=4 1042 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,1,0,0,0,0|2,0,1]=4 1043 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,0,0,0,0|1,0,2]=4 1044 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,1,0,0,0,0|2,0,1]=4 1045 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,1,0,0,0,0|2,0,1]=4 1046 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,1,0,0,0,0|2,0,1]=4 1047 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,1,0,0,0,0|2,0,1]=4 1048 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,1,0,0,0,0|2,0,1]=4 1049 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,1,0,0,0,0|2,0,1]=4 1050 B11R0.4 CCOCCNNC(=O)COC 22a_100000732670_100000210968 [0,1,0,0,0,0|3,0,0]=4 1051 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,1,0,0,0,0|2,0,1]=4 1052 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,1,0,0,0,0|2,0,1]=4 1053 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,1,0,0,0,0|2,0,1]=4 1054 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,1,0,0,0,0|2,0,1]=4 1055 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,1,0,0,0,0|2,0,1]=4 1056 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,1,0,0,0,0|2,0,1]=4 1057 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,0,0,0,0|1,0,2]=4 1058 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,0,0,0,0|1,0,2]=4 1059 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,0,0,0,0|2,0,1]=4 1060 B11R0.4 COCCCNNC(=O)COC 22a_100025702787_100000210968 [0,1,0,0,0,0|3,0,0]=4 1061 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,1,0,0,0,0|1,0,2]=4 1062 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,1,0,0,0,0|1,0,2]=4 1063 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,1,0,0,0,0|1,0,2]=4 1064 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,1,0,0,0,0|1,0,2]=4 1065 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,1,0,0,0,0|1,0,2]=4 1066 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,1,0,0,0,0|1,0,2]=4 1067 B11R0.40 C#CCCNC/C=C/C(=O)OC 34a_100000755551_100000742655 [0,1,0,0,0,0|0,0,2]=3 1068 B11R0.40 C#CCCOC/C=C/C(=O)OC 34a_100011215631_100000742655 [0,1,0,0,0,0|0,0,2]=3 1069 B11R0.40 C#CCCSC/C=C/C(=O)OC 62a_100000688953_100000742655 [0,1,0,0,0,0|0,0,2]=3 1070 B11R0.40 C#CCCSC/C=C/C(=O)OC 62a_100000742655_100000688953 [0,1,0,0,0,0|0,0,2]=3 1071 B11R0.40 C/C=C(\C)/C=NNCCCCC 4a_100000694160_100020587592 [0,1,0,0,0,0|3,0,0]=4 1072 B11R0.40 C/C=C/COC/C=C/C(=O)OC 34a_100016270725_100000742655 [0,1,0,0,0,0|0,0,2]=3 1073 B11R0.40 C/C=C/CSC/C=C/C(=O)OC 62a_100000742655_100102629194 [0,1,0,0,0,0|0,0,2]=3 1074 B11R0.40 C/C=C/CSC/C=C/C(=O)OC 62a_100102629194_100000742655 [0,1,0,0,0,0|0,0,2]=3 1075 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,1,0,0,0,0|1,0,2]=4 1076 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,1,0,0,0,0|1,0,2]=4 1077 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,1,0,0,0,0|1,0,2]=4 1078 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,1,0,0,0,0|1,0,2]=4 1079 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,1,0,0,0,0|1,0,2]=4 1080 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,1,0,0,0,0|1,0,2]=4 1081 B11R0.40 C=CCCNC/C=C/C(=O)OC 2230a_100015191253_100000742655 [0,1,0,0,0,0|0,0,2]=3 1082 B11R0.40 C=CCCOC/C=C/C(=O)OC 34a_100011205117_100000742655 [0,1,0,0,0,0|0,0,2]=3 1083 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000742655_100000754431 [0,1,0,0,0,0|0,0,2]=3 1084 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000754431_100000742655 [0,1,0,0,0,0|0,0,2]=3 1085 B11R0.40 CC#CCNC/C=C/C(=O)OC 2230a_100000685387_100000742655 [0,1,0,0,0,0|0,0,2]=3 1086 B11R0.40 CC#CCNC/C=C/C(=O)OC 34a_100000685387_100000742655 [0,1,0,0,0,0|0,0,2]=3 1087 B11R0.40 CC#CCOC/C=C/C(=O)OC 34a_100000761923_100000742655 [0,1,0,0,0,0|0,0,2]=3 1088 B11R0.40 CC#CCSC/C=C/C(=O)OC 62a_100000742655_100000748600 [0,1,0,0,0,0|0,0,2]=3 1089 B11R0.40 CC#CCSC/C=C/C(=O)OC 62a_100000748600_100000742655 [0,1,0,0,0,0|0,0,2]=3 1090 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,1,0,0,0,0|1,0,2]=4 1091 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,1,0,0,0,0|1,0,2]=4 1092 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,1,0,0,0,0|1,0,2]=4 1093 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,1,0,0,0,0|1,0,2]=4 1094 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,1,0,0,0,0|1,0,2]=4 1095 B11R0.40 CC=CCSC/C=C/C(=O)OC 62a_100000070051_100000742655 [0,1,0,0,0,0|0,0,2]=3 1096 B11R0.40 CC=CCSC/C=C/C(=O)OC 62a_100000742655_100000070051 [0,1,0,0,0,0|0,0,2]=3 1097 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,1,0,0,0,0|1,0,2]=4 1098 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,1,0,0,0,0|1,0,2]=4 1099 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|1,0,2]=4 1100 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|1,0,2]=4 1101 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|1,0,2]=4 1102 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|2,0,1]=4 1103 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|2,0,1]=4 1104 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|2,0,1]=4 1105 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|2,0,1]=4 1106 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|2,0,1]=4 1107 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|2,0,1]=4 1108 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|2,0,1]=4 1109 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|2,0,1]=4 1110 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|2,0,1]=4 1111 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|2,0,1]=4 1112 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|2,0,1]=4 1113 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,0,0,0,0|2,0,1]=4 1114 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,0,0,0,0|2,0,1]=4 1115 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|2,0,1]=4 1116 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|2,0,1]=4 1117 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|2,0,1]=4 1118 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|2,0,1]=4 1119 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|2,0,1]=4 1120 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|2,0,1]=4 1121 B11R0.40 CCC(=O)NN=CCCCCO 4a_100000183195_100000031955 [0,1,0,0,0,0|3,0,0]=4 1122 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,1,0,0,0,0|1,0,2]=4 1123 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,1,0,0,0,0|1,0,2]=4 1124 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,1,0,0,0,0|1,0,2]=4 1125 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,1,0,0,0,0|1,0,2]=4 1126 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|1,0,0]=2 1127 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|2,0,0]=3 1128 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|1,0,0]=2 1129 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|1,0,0]=2 1130 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|1,0,0]=2 1131 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,1,0,0,0,0|1,0,2]=4 1132 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,1,0,0,0,0|2,0,0]=3 1133 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|1,0,0]=2 1134 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|2,0,0]=3 1135 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|1,0,0]=2 1136 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|1,0,0]=2 1137 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|1,0,0]=2 1138 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|1,0,2]=4 1139 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|1,0,2]=4 1140 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|1,0,2]=4 1141 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|1,0,2]=4 1142 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|1,0,2]=4 1143 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|1,0,2]=4 1144 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|1,0,2]=4 1145 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|1,0,2]=4 1146 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|1,0,2]=4 1147 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|1,0,2]=4 1148 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,0,0,0,0|1,0,2]=4 1149 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,0,0,0,0|1,0,2]=4 1150 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,0,0,0,0|1,0,2]=4 1151 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,0,0,0,0|1,0,2]=4 1152 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,0,0,0,0|1,0,2]=4 1153 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,0,0,0,0|1,0,2]=4 1154 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,0,0,0,0|1,0,2]=4 1155 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,0,0,0,0|1,0,2]=4 1156 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,0,0,0,0|0,0,2]=3 1157 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|1,0,2]=4 1158 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|1,0,2]=4 1159 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|1,0,2]=4 1160 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|1,0,2]=4 1161 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|1,0,2]=4 1162 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|0,0,2]=3 1163 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|0,0,2]=3 1164 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|1,0,2]=4 1165 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|1,0,2]=4 1166 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,0,0,0,0|1,0,2]=4 1167 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,0,0,0,0|1,0,2]=4 1168 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,0,0,0,0|0,0,2]=3 1169 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,0,0,0,0|0,0,2]=3 1170 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,0,0,0,0|1,0,2]=4 1171 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,0,0,0,0|1,0,2]=4 1172 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,0,0,0,0|1,0,2]=4 1173 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,0,0,0,0|0,0,2]=3 1174 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,1,0,0,0,0|1,0,0]=2 1175 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,0,0,0,0|1,0,2]=4 1176 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,0,0,0,0|1,0,2]=4 1177 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,0,0,0,0|1,0,2]=4 1178 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,0,0,0,0|0,0,2]=3 1179 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,0,0,0,0|0,0,2]=3 1180 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,0,0,0,0|1,0,2]=4 1181 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,0,0,0,0|1,0,2]=4 1182 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,0,0,0,0|0,0,2]=3 1183 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,0,0,0,0|0,0,2]=3 1184 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,0,0,0,0|1,0,1]=3 1185 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,1,0,0,0,0|0,0,0]=1 1186 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,1,0,0,0,0|0,0,0]=1 1187 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,0,0,0,0|1,0,2]=4 1188 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,0,0,0,0|1,0,2]=4 1189 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,0,0,0,0|1,0,2]=4 1190 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,0,0,0,0|1,0,2]=4 1191 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,0,0,0,0|0,0,2]=3 1192 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,0,0,0,0|0,0,2]=3 1193 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|2,0,1]=4 1194 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,1,0,0,0,0|2,0,1]=4 1195 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,0,0,0,0|2,0,1]=4 1196 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,1,0,0,0,0|1,0,1]=3 1197 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,1,0,0,0,0|0,0,0]=1 1198 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,1,0,0,0,0|0,0,0]=1 1199 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,0,0,0,0|1,0,2]=4 1200 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,0,0,0,0|1,0,2]=4 1201 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,0,0,0,0|0,0,2]=3 1202 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,0,0,0,0|0,0,2]=3 1203 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|2,0,1]=4 1204 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|2,0,1]=4 1205 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,0,0,0,0|1,0,1]=3 1206 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|2,0,1]=4 1207 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,0,0,0,0|2,0,1]=4 1208 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,0,0,0,0|2,0,1]=4 1209 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,0,0,0,0|1,0,1]=3 1210 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,1,0,0,0,0|2,0,1]=4 1211 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|2,0,1]=4 1212 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,1,0,0,0,0|2,0,1]=4 1213 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,0,0,0,0|2,0,1]=4 1214 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,0,0,0,0|2,0,1]=4 1215 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,1,0,0,0,0|2,0,1]=4 1216 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,1,0,0,0,0|2,0,1]=4 1217 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,1,0,0,0,0|1,0,1]=3 1218 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,1,0,0,0,0|1,0,1]=3 1219 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,1,0,0,0,0|0,0,0]=1 1220 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,1,0,0,0,0|0,0,0]=1 1221 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,0,0,0,0|1,0,2]=4 1222 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,0,0,0,0|1,0,2]=4 1223 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,0,0,0,0|0,0,2]=3 1224 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,0,0,0,0|0,0,2]=3 1225 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1226 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1227 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1228 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1229 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,1,0,0,0,0|2,0,1]=4 1230 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,1,0,0,0,0|2,0,1]=4 1231 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,1,0,0,0,0|2,0,1]=4 1232 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,1,0,0,0,0|2,0,1]=4 1233 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,1,0,0,0,0|2,0,1]=4 1234 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,1,0,0,0,0|2,0,1]=4 1235 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,0,0,0,0|2,0,1]=4 1236 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,0,0,0,0|2,0,1]=4 1237 B11R0.40 CCCNN=CC=CC(=O)OC 4a_100000740057_100016254430 [0,1,0,0,0,0|1,0,1]=3 1238 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [0,1,0,0,0,0|2,0,1]=4 1239 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,0,0,0,0|0,0,2]=3 1240 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,0,0,0,0|0,0,2]=3 1241 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,0,0,0,0|0,0,2]=3 1242 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|2,0,1]=4 1243 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|2,0,1]=4 1244 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|2,0,1]=4 1245 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,1,0,0,0,0|2,0,1]=4 1246 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,1,0,0,0,0|2,0,1]=4 1247 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,1,0,0,0,0|2,0,1]=4 1248 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,1,0,0,0,0|2,0,1]=4 1249 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,1,0,0,0,0|2,0,1]=4 1250 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,1,0,0,0,0|2,0,1]=4 1251 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,1,0,0,0,0|2,0,1]=4 1252 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,1,0,0,0,0|2,0,1]=4 1253 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,1,0,0,0,0|2,0,1]=4 1254 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,0,0,0,0|1,0,1]=3 1255 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,0,0,0,0|1,0,1]=3 1256 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|2,0,1]=4 1257 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|2,0,1]=4 1258 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,0,0,0,0|2,0,1]=4 1259 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,0,0,0,0|2,0,1]=4 1260 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,0,0,0,0|2,0,1]=4 1261 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,0,0,0,0|1,0,1]=3 1262 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,0,0,0,0|1,0,1]=3 1263 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,0,0,0,0|1,0,1]=3 1264 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|2,0,1]=4 1265 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|2,0,1]=4 1266 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,1,0,0,0,0|2,0,1]=4 1267 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,1,0,0,0,0|2,0,1]=4 1268 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,0,0,0,0|1,0,1]=3 1269 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,0,0,0,0|1,0,1]=3 1270 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,0,0,0,0|0,0,2]=3 1271 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,0,0,0,0|0,0,2]=3 1272 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,1,0,0,0,0|2,0,1]=4 1273 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,1,0,0,0,0|1,0,1]=3 1274 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|2,0,1]=4 1275 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,0,0,0,0|2,0,1]=4 1276 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,0,0,0,0|2,0,1]=4 1277 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,0,0,0,0|1,0,1]=3 1278 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,0,0,0,0|1,0,1]=3 1279 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,0,0,0,0|1,0,1]=3 1280 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,0,0,0,0|1,0,1]=3 1281 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,0,0,0,0|0,0,2]=3 1282 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,0,0,0,0|0,0,2]=3 1283 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,0,0,0,0|0,0,2]=3 1284 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,0,0,0,0|0,0,2]=3 1285 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,1,0,0,0,0|2,0,1]=4 1286 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,1,0,0,0,0|2,0,1]=4 1287 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,1,0,0,0,0|2,0,1]=4 1288 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,1,0,0,0,0|1,0,1]=3 1289 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,1,0,0,0,0|1,0,1]=3 1290 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|2,0,1]=4 1291 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|2,0,1]=4 1292 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,1,0,0,0,0|2,0,1]=4 1293 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,1,0,0,0,0|2,0,1]=4 1294 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,1,0,0,0,0|2,0,1]=4 1295 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,0,0,0,0|1,0,1]=3 1296 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,0,0,0,0|1,0,1]=3 1297 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|2,0,1]=4 1298 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|2,0,1]=4 1299 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,1,0,0,0,0|2,0,1]=4 1300 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,1,0,0,0,0|2,0,1]=4 1301 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,1,0,0,0,0|1,0,1]=3 1302 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,1,0,0,0,0|1,0,1]=3 1303 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,1,0,0,0,0|1,0,2]=4 1304 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,1,0,0,0,0|1,0,2]=4 1305 B11R0.40 CCOCCNN=CC(=O)OC 4a_100000732670_200011823558 [0,1,0,0,0,0|2,0,0]=3 1306 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,1,0,0,0,0|1,0,2]=4 1307 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,1,0,0,0,0|1,0,2]=4 1308 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,1,0,0,0,0|1,0,2]=4 1309 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,1,0,0,0,0|1,0,2]=4 1310 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,1,0,0,0,0|2,0,1]=4 1311 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000739092_100000742655 [0,1,0,0,0,0|1,0,0]=2 1312 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000742655_100000739092 [0,1,0,0,0,0|1,0,0]=2 1313 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,1,0,0,0,0|1,0,2]=4 1314 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,1,0,0,0,0|1,0,2]=4 1315 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,0,0,0,0|0,0,2]=3 1316 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,0,0,0,0|0,0,2]=3 1317 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|2,0,1]=4 1318 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,1,0,0,0,0|2,0,1]=4 1319 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,1,0,0,0,0|2,0,1]=4 1320 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,0,0,0,0|1,0,1]=3 1321 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,0,0,0,0|1,0,1]=3 1322 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,1,0,0,0,0|1,0,2]=4 1323 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,1,0,0,0,0|1,0,2]=4 1324 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,1,0,0,0,0|1,0,2]=4 1325 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,1,0,0,0,0|1,0,2]=4 1326 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,1,0,0,0,0|1,0,2]=4 1327 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,1,0,0,0,0|2,0,1]=4 1328 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|1,0,2]=4 1329 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,1,0,0,0,0|2,0,1]=4 1330 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,0,0,0,0|2,0,1]=4 1331 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 1332 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 1333 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,1,0,0,0,0|2,0,1]=4 1334 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,1,0,0,0,0|2,0,1]=4 1335 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,1,0,0,0,0|2,0,1]=4 1336 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,1,0,0,0,0|2,0,1]=4 1337 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,1,0,0,0,0|2,0,1]=4 1338 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,1,0,0,0,0|2,0,1]=4 1339 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,1,0,0,0,0|2,0,1]=4 1340 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,1,0,0,0,0|2,0,1]=4 1341 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 1342 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,0,0,0,0|2,0,1]=4 1343 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,1,0,0,0,0|2,0,1]=4 1344 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,1,0,0,0,0|2,0,1]=4 1345 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,1,0,0,0,0|2,0,1]=4 1346 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,1,0,0,0,0|2,0,1]=4 1347 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,1,0,0,0,0|2,0,1]=4 1348 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,1,0,0,0,0|2,0,1]=4 1349 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,0,0,0,0|2,0,1]=4 1350 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,0,0,0,0|2,0,1]=4 1351 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,1,0,0,0,0|2,0,1]=4 1352 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,1,0,0,0,0|2,0,1]=4 1353 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,0,0,0,0|2,0,1]=4 1354 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,0,0,0,0|2,0,1]=4 1355 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,0,0,0,0|2,0,1]=4 1356 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,0,0,0,0|2,0,1]=4 1357 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,0,0,0,0|2,0,1]=4 1358 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,1,0,0,0,0|2,0,1]=4 1359 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,1,0,0,0,0|2,0,1]=4 1360 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,1,0,0,0,0|2,0,1]=4 1361 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,1,0,0,0,0|2,0,1]=4 1362 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,1,0,0,0,0|2,0,1]=4 1363 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,1,0,0,0,0|2,0,1]=4 1364 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,0,0,0,0|0,0,2]=3 1365 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,0,0,0,0|0,0,2]=3 1366 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,0,0,0,0|0,0,2]=3 1367 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,1,0,0,0,0|1,0,2]=4 1368 B11R0.40 COC(=O)/C=C/CNCCCF 2230a_100015189416_100000742655 [0,1,0,0,0,0|1,0,0]=2 1369 B11R0.40 COC(=O)/C=C/CNCCCF 34a_100015189416_100000742655 [0,1,0,0,0,0|1,0,0]=2 1370 B11R0.40 COC(=O)/C=C/CNCCSC 2230a_100020590264_100000742655 [0,1,0,0,0,0|1,0,0]=2 1371 B11R0.40 COC(=O)/C=C/COCCCBr 34a_100011217188_100000742655 [0,1,0,0,0,0|1,0,0]=2 1372 B11R0.40 COC(=O)/C=C/COCCCCl 34a_100000230001_100000742655 [0,1,0,0,0,0|1,0,0]=2 1373 B11R0.40 COC(=O)/C=C/COCCCF 34a_100000759539_100000742655 [0,1,0,0,0,0|1,0,0]=2 1374 B11R0.40 COC(=O)/C=C/COCCCN 34a_100000182051_100000742655 [0,1,0,0,0,0|1,0,0]=2 1375 B11R0.40 COC(=O)/C=C/COCCON 34a_100000700252_100000742655 [0,1,0,0,0,0|2,0,0]=3 1376 B11R0.40 COC(=O)/C=C/COCCSC 34a_100000230434_100000742655 [0,1,0,0,0,0|1,0,0]=2 1377 B11R0.40 COC(=O)/C=C/COCCSC 7a_100000230434_100000742655 [0,1,0,0,0,0|1,0,0]=2 1378 B11R0.40 COC(=O)/C=C/CSCCC#N 62a_100000742655_100011215226 [0,1,0,0,0,0|1,0,1]=3 1379 B11R0.40 COC(=O)/C=C/CSCCC#N 62a_100011215226_100000742655 [0,1,0,0,0,0|1,0,1]=3 1380 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100000742655_100011934791 [0,1,0,0,0,0|1,0,0]=2 1381 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100011934791_100000742655 [0,1,0,0,0,0|1,0,0]=2 1382 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [0,1,0,0,0,0|1,0,0]=2 1383 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [0,1,0,0,0,0|1,0,0]=2 1384 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000212216_100000742655 [0,1,0,0,0,0|1,0,0]=2 1385 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000742655_100000751147 [0,1,0,0,0,0|1,0,0]=2 1386 B11R0.40 COC(=O)/C=C/CSCSC#N 62a_100000211825_100000742655 [0,1,0,0,0,0|2,0,1]=4 1387 B11R0.40 COC(=O)/C=C/CSCSC#N 62a_100000742655_100000211825 [0,1,0,0,0,0|2,0,1]=4 1388 B11R0.40 COC(=O)C=CC=NNCCO 4a_100000210001_100016254430 [0,1,0,0,0,0|2,0,1]=4 1389 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,0,0,0,0|0,0,2]=3 1390 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,0,0,0,0|0,0,2]=3 1391 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|0,0,2]=3 1392 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|0,0,2]=3 1393 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|0,0,2]=3 1394 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|0,0,2]=3 1395 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,1,0,0,0,0|1,0,2]=4 1396 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,1,0,0,0,0|1,0,2]=4 1397 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,1,0,0,0,0|1,0,2]=4 1398 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,1,0,0,0,0|1,0,2]=4 1399 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,1,0,0,0,0|1,0,2]=4 1400 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,0,0,0,0|1,0,2]=4 1401 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,0,0,0,0|1,0,2]=4 1402 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,1,0,0,0,0|1,0,2]=4 1403 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,1,0,0,0,0|1,0,2]=4 1404 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,1,0,0,0,0|1,0,2]=4 1405 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,1,0,0,0,0|1,0,2]=4 1406 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,0,0,0,0|1,0,2]=4 1407 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,0,0,0,0|1,0,2]=4 1408 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,1,0,0,0,0|1,0,2]=4 1409 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,1,0,0,0,0|1,0,2]=4 1410 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,1,0,0,0,0|1,0,2]=4 1411 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,0,0,0,0|1,0,2]=4 1412 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,0,0,0,0|1,0,2]=4 1413 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,1,0,0,0,0|1,0,2]=4 1414 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,1,0,0,0,0|1,0,2]=4 1415 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,1,0,0,0,0|1,0,2]=4 1416 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,1,0,0,0,0|1,0,2]=4 1417 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,1,0,0,0,0|1,0,2]=4 1418 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,1,0,0,0,0|1,0,2]=4 1419 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,1,0,0,0,0|1,0,2]=4 1420 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,1,0,0,0,0|1,0,2]=4 1421 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,0,0,0,0|1,0,2]=4 1422 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,1,0,0,0,0|1,0,2]=4 1423 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,1,0,0,0,0|1,0,2]=4 1424 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,1,0,0,0,0|1,0,2]=4 1425 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,1,0,0,0,0|1,0,2]=4 1426 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,0,0,0,0|1,0,2]=4 1427 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,0,0,0,0|1,0,2]=4 1428 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,1,0,0,0,0|1,0,2]=4 1429 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,1,0,0,0,0|1,0,2]=4 1430 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,0,0,0,0|1,0,2]=4 1431 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,0,0,0,0|1,0,2]=4 1432 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,1,0,0,0,0|1,0,2]=4 1433 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,1,0,0,0,0|1,0,2]=4 1434 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,1,0,0,0,0|1,0,2]=4 1435 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,1,0,0,0,0|1,0,2]=4 1436 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,1,0,0,0,0|1,0,2]=4 1437 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,1,0,0,0,0|1,0,2]=4 1438 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,1,0,0,0,0|1,0,2]=4 1439 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,1,0,0,0,0|1,0,2]=4 1440 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,1,0,0,0,0|1,0,2]=4 1441 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,1,0,0,0,0|1,0,2]=4 1442 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,1,0,0,0,0|1,0,2]=4 1443 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,1,0,0,0,0|1,0,2]=4 1444 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,0,0,0,0|1,0,2]=4 1445 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,0,0,0,0|1,0,2]=4 1446 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,0,0,0,0|1,0,1]=3 1447 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,0,0,0,0|1,0,1]=3 1448 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,1,0,0,0,0|2,0,1]=4 1449 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,1,0,0,0,0|2,0,1]=4 1450 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [0,1,0,0,0,0|2,0,1]=4 1451 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,0,0,0,0|1,0,1]=3 1452 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,0,0,0,0|1,0,1]=3 1453 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,0,0,0,0|1,0,1]=3 1454 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,0,0,0,0|1,0,1]=3 1455 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,0,0,0,0|1,0,1]=3 1456 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,0,0,0,0|1,0,1]=3 1457 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,0,0,0,0|1,0,1]=3 1458 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,1,0,0,0,0|1,0,1]=3 1459 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,1,0,0,0,0|1,0,1]=3 1460 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [0,1,0,0,0,0|2,0,1]=4 1461 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,1,0,0,0,0|2,0,1]=4 1462 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,1,0,0,0,0|2,0,1]=4 1463 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,1,0,0,0,0|2,0,1]=4 1464 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,1,0,0,0,0|2,0,1]=4 1465 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,1,0,0,0,0|2,0,1]=4 1466 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,1,0,0,0,0|2,0,1]=4 1467 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,1,0,0,0,0|2,0,1]=4 1468 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,1,0,0,0,0|2,0,1]=4 1469 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,1,0,0,0,0|2,0,1]=4 1470 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,1,0,0,0,0|2,0,1]=4 1471 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,1,0,0,0,0|2,0,1]=4 1472 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,1,0,0,0,0|2,0,1]=4 1473 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,1,0,0,0,0|2,0,1]=4 1474 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [0,1,0,0,0,0|2,0,1]=4 1475 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [0,1,0,0,0,0|2,0,1]=4 1476 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,1,0,0,0,0|2,0,1]=4 1477 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,1,0,0,0,0|2,0,1]=4 1478 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [0,1,0,0,0,0|2,0,1]=4 1479 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [0,1,0,0,0,0|2,0,1]=4 1480 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,1,0,0,0,0|1,0,2]=4 1481 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,1,0,0,0,0|1,0,2]=4 1482 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,1,0,0,0,0|1,0,2]=4 1483 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,1,0,0,0,0|1,0,2]=4 1484 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,1,0,0,0,0|1,0,1]=3 1485 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,1,0,0,0,0|1,0,1]=3 1486 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,0,0,0,0|1,0,1]=3 1487 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,0,0,0,0|1,0,1]=3 1488 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,1,0,0,0,0|2,0,1]=4 1489 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,1,0,0,0,0|2,0,1]=4 1490 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,1,0,0,0,0|2,0,1]=4 1491 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,1,0,0,0,0|2,0,1]=4 1492 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,1,0,0,0,0|2,0,1]=4 1493 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,1,0,0,0,0|2,0,1]=4 1494 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,1,0,0,0,0|2,0,1]=4 1495 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,1,0,0,0,0|2,0,1]=4 1496 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,1,0,0,0,0|2,0,1]=4 1497 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,1,0,0,0,0|2,0,1]=4 1498 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,0,0,0,0|0,0,2]=3 1499 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,0,0,0,0|0,0,2]=3 1500 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,0,0,0,0|0,0,2]=3 1501 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,1,0,0,0,0|1,0,1]=3 1502 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,1,0,0,0,0|1,0,1]=3 1503 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,1,0,0,0,0|1,0,1]=3 1504 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,1,0,0,0,0|1,0,2]=4 1505 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,1,0,0,0,0|1,0,2]=4 1506 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,1,0,0,0,0|1,0,2]=4 1507 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,1,0,0,0,0|1,0,2]=4 1508 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,1,0,0,0,0|2,0,1]=4 1509 B11R0.40 COCCNC/C=C/C(=O)OC 2230a_100000209980_100000742655 [0,1,0,0,0,0|1,0,0]=2 1510 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,1,0,0,0,0|1,0,2]=4 1511 B11R0.40 COCCOC/C=C/C(=O)OC 34a_100000210237_100000742655 [0,1,0,0,0,0|1,0,0]=2 1512 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,1,0,0,0,0|1,0,2]=4 1513 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,1,0,0,0,0|2,0,1]=4 1514 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,1,0,0,0,0|2,0,1]=4 1515 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [0,1,0,0,0,0|2,0,1]=4 1516 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [0,1,0,0,0,0|2,0,1]=4 1517 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000233755_100000742655 [0,1,0,0,0,0|1,0,0]=2 1518 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000742655_100000233755 [0,1,0,0,0,0|1,0,0]=2 1519 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,1,0,0,0,0|1,0,2]=4 1520 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,1,0,0,0,0|1,0,2]=4 1521 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,1,0,0,0,0|1,0,2]=4 1522 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,1,0,0,0,0|1,0,2]=4 1523 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [0,1,0,0,0,0|2,0,1]=4 1524 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [0,1,0,0,0,0|2,0,1]=4 1525 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|1,0,2]=4 1526 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,1,0,0,0,0|2,0,1]=4 1527 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,1,0,0,0,0|2,0,1]=4 1528 B11R0.42 C=C(C)C(=O)NNCCCCC 22a_100000694160_100000185857 [0,1,0,0,0,0|3,0,0]=4 1529 B11R0.42 CCC/C=C/C=CC(=O)C(C)C 1458a_200016258893_100000210206 [0,1,0,0,0,0|1,0,2]=4 1530 B11R0.42 CCC/C=C/C=CC(=O)N(C)C 11a_100102631434_200016258893 [0,1,0,0,0,0|1,0,2]=4 1531 B11R0.42 CCC/C=C/C=CC(=O)N(C)C 1626a_100102631434_200016258893 [0,1,0,0,0,0|1,0,2]=4 1532 B11R0.42 CCC/C=C/C=CC(=O)N(C)C 240690a_100102631434_200016258893 [0,1,0,0,0,0|1,0,2]=4 1533 B11R0.42 CCCC/C=C/CC(=O)C(C)C 1458a_200016282684_100000210206 [0,1,0,0,0,0|1,0,2]=4 1534 B11R0.42 CCCC/C=C/CC(=O)N(C)C 11a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 1535 B11R0.42 CCCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 1536 B11R0.42 CCCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 1537 B11R0.42 CCCC/C=C/CC(=O)N(C)C 527a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 1538 B11R0.42 CCCCCC#CC(=O)C(C)C 1458a_100011215388_100000210206 [0,1,0,0,0,0|1,0,2]=4 1539 B11R0.42 CCCCCC#CC(=O)N(C)C 240690a_100102631434_100011215388 [0,1,0,0,0,0|1,0,2]=4 1540 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,1,0,0,0,0|1,0,0]=2 1541 B11R0.42 CCCCCC=CC(=O)N(C)C 11a_100102631434_100016263427 [0,1,0,0,0,0|1,0,0]=2 1542 B11R0.42 CCCCCC=CC(=O)N(C)C 1626a_100102631434_100016263427 [0,1,0,0,0,0|1,0,0]=2 1543 B11R0.42 CCCCCC=CC(=O)N(C)C 240690a_100102631434_100016263427 [0,1,0,0,0,0|1,0,0]=2 1544 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,0,0,0,0|1,0,2]=4 1545 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,0,0,0,0|1,0,2]=4 1546 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,0,0,0,0|1,0,2]=4 1547 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,1,0,0,0,0|1,0,2]=4 1548 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,1,0,0,0,0|1,0,2]=4 1549 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,1,0,0,0,0|1,0,2]=4 1550 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,1,0,0,0,0|1,0,2]=4 1551 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|1,0,2]=4 1552 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|1,0,2]=4 1553 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,1,0,0,0,0|2,0,1]=4 1554 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,1,0,0,0,0|2,0,1]=4 1555 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,1,0,0,0,0|2,0,1]=4 1556 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,1,0,0,0,0|2,0,1]=4 1557 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,1,0,0,0,0|2,0,1]=4 1558 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,1,0,0,0,0|2,0,1]=4 1559 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,1,0,0,0,0|2,0,1]=4 1560 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,1,0,0,0,0|2,0,1]=4 1561 B11R0.42 CCCCCCNC(=O)N(C)C 2708a_100000210581_100102631434 [0,1,0,0,0,0|2,0,1]=4 1562 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,1,0,0,0,0|2,0,1]=4 1563 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,1,0,0,0,0|2,0,1]=4 1564 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,1,0,0,0,0|2,0,1]=4 1565 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,1,0,0,0,0|2,0,1]=4 1566 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100000209983_100000185267 [0,1,0,0,0,0|2,0,1]=4 1567 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100015183351_100000210326 [0,1,0,0,0,0|2,0,1]=4 1568 B11R0.42 CCCCCNNC(=O)C(C)C 22a_100000694160_100000210198 [0,1,0,0,0,0|3,0,0]=4 1569 B11R0.42 CCCCCNNC(=O)C(C)F 22a_100000694160_100000062450 [0,1,0,0,0,0|3,0,0]=4 1570 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,1,0,0,0,0|3,0,0]=4 1571 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,1,0,0,0,0|3,0,0]=4 1572 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,1,0,0,0,0|2,0,1]=4 1573 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,1,0,0,0,0|2,0,1]=4 1574 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,1,0,0,0,0|2,0,1]=4 1575 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [0,1,0,0,0,0|2,0,1]=4 1576 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [0,1,0,0,0,0|2,0,1]=4 1577 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,1,0,0,0,0|2,0,1]=4 1578 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,1,0,0,0,0|2,0,1]=4 1579 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,1,0,0,0,0|2,0,1]=4 1580 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,1,0,0,0,0|2,0,1]=4 1581 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000210326_100000692301 [0,1,0,0,0,0|2,0,1]=4 1582 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000692301_100000210326 [0,1,0,0,0,0|2,0,1]=4 1583 B11R0.70 CC=C(C)C=CC(=O)CCCC 1458a_100000692105_100000210211 [0,1,0,0,0,0|2,0,1]=4 1584 B11R0.70 CCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210211 [0,1,0,0,0,0|1,0,1]=3 1585 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,1,0,0,0,0|0,0,3]=4 1586 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [0,1,0,0,0,0|1,0,2]=4 1587 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [0,1,0,0,0,0|1,0,2]=4 1588 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,1,0,0,0,0|1,0,2]=4 1589 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,1,0,0,0,0|1,0,2]=4 1590 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,1,0,0,0,0|1,0,2]=4 1591 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,1,0,0,0,0|1,0,2]=4 1592 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,1,0,0,0,0|1,0,2]=4 1593 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [0,1,0,0,0,0|2,0,1]=4 1594 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [0,1,0,0,0,0|2,0,1]=4 1595 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [0,1,0,0,0,0|2,0,1]=4 1596 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [0,1,0,0,0,0|1,0,1]=3 1597 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,1,0,0,0,0|2,0,1]=4 1598 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,1,0,0,0,0|2,0,1]=4 1599 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [0,1,0,0,0,0|2,0,1]=4 1600 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [0,1,0,0,0,0|2,0,1]=4 1601 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [0,1,0,0,0,0|2,0,1]=4 1602 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,1,0,0,0,0|1,0,1]=3 1603 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,1,0,0,0,0|1,0,1]=3 1604 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,1,0,0,0,0|2,0,1]=4 1605 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,1,0,0,0,0|2,0,1]=4 1606 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [0,1,0,0,0,0|2,0,1]=4 1607 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [0,1,0,0,0,0|2,0,1]=4 1608 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [0,1,0,0,0,0|1,0,1]=3 1609 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [0,1,0,0,0,0|1,0,1]=3 1610 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [0,1,0,0,0,0|1,0,2]=4 1611 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [0,1,0,0,0,0|1,0,2]=4 1612 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [0,1,0,0,0,0|1,0,2]=4 1613 B11R0.70 CCCNC(=O)C=CC(=O)NC 1626a_100020643023_100016259477 [0,1,0,0,0,0|2,0,1]=4 1614 B11R0.70 CCCNC(=O)C=CC(=O)OC 1626a_100020643023_100016283253 [0,1,0,0,0,0|1,0,1]=3 1615 B11R0.70 CCNN=C(C)C=CC(=O)OC 4a_100000756455_100016258046 [0,1,0,0,0,0|2,0,1]=4 1616 B11R0.70 CCNNC(=O)C=CC(=O)OC 22a_100000756455_100016283253 [0,1,0,0,0,0|2,0,1]=4 1617 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [0,1,0,0,0,0|2,0,1]=4 1618 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [0,1,0,0,0,0|2,0,1]=4 1619 B11R0.70 CNC(=O)C=CC(=O)CCCF 1458a_100016259477_100011934791 [0,1,0,0,0,0|2,0,1]=4 1620 B11R0.70 CNC(=O)C=CC(=O)CCCO 1458a_100016259477_100011215043 [0,1,0,0,0,0|2,0,1]=4 1621 B11R0.70 CNC(=O)C=CC(=O)CCOC 1458a_100016259477_100000233755 [0,1,0,0,0,0|2,0,1]=4 1622 B11R0.70 CNC(=O)C=CC(=O)CCSC 1458a_100016259477_100000751147 [0,1,0,0,0,0|2,0,1]=4 1623 B11R0.70 COC(=O)C=CC(=O)NCCF 1626a_100000724931_100016283253 [0,1,0,0,0,0|2,0,1]=4 1624 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [0,1,0,0,0,0|2,0,1]=4 1625 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [0,1,0,0,0,0|2,0,1]=4 1626 B11R0.106 C#CC(C)NC/C=C/C(=O)OC 2230a_100000707721_100000742655 [0,1,0,0,0,0|1,0,2]=4 1627 B11R0.106 C#CC(C)NC/C=C/C(=O)OC 34a_100000707721_100000742655 [0,1,0,0,0,0|1,0,2]=4 1628 B11R0.106 C#CC(C)SC/C=C/C(=O)OC 62a_200000035995_100000742655 [0,1,0,0,0,0|1,0,2]=4 1629 B11R0.106 C#C[C@@H](C)OC/C=C/C(=O)OC 34a_100009815206_100000742655 [0,1,0,0,0,0|1,0,2]=4 1630 B11R0.106 C#C[C@@H](C)OC/C=C/C(=O)OC 7a_100009815206_100000742655 [0,1,0,0,0,0|1,0,2]=4 1631 B11R0.106 C=CC(C)OC/C=C/C(=O)OC 34a_100000695699_100000742655 [0,1,0,0,0,0|1,0,2]=4 1632 B11R0.106 C=CC(C)SC/C=C/C(=O)OC 62a_100011215867_100000742655 [0,1,0,0,0,0|1,0,2]=4 1633 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,1,0,0,0,0|0,0,3]=4 1634 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,1,0,0,0,0|0,0,3]=4 1635 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,1,0,0,0,0|1,0,2]=4 1636 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,1,0,0,0,0|1,0,2]=4 1637 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,1,0,0,0,0|2,0,1]=4 1638 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [0,1,0,0,0,0|2,0,1]=4 1639 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,1,0,0,0,0|1,0,1]=3 1640 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [0,1,0,0,0,0|2,0,1]=4 1641 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,1,0,0,0,0|1,0,1]=3 1642 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [0,1,0,0,0,0|1,0,2]=4 1643 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [0,1,0,0,0,0|1,0,2]=4 1644 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [0,1,0,0,0,0|1,0,2]=4 1645 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [0,1,0,0,0,0|2,0,1]=4 1646 B11R0.106 CCC(C)NC/C=C/C(=O)OC 2230a_100000209981_100000742655 [0,1,0,0,0,0|1,0,0]=2 1647 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [0,1,0,0,0,0|1,0,2]=4 1648 B11R0.106 CCC(C)NN=CCC(=O)OC 4a_100000718999_200011552997 [0,1,0,0,0,0|2,0,1]=4 1649 B11R0.106 CCC(C)OC/C=C/C(=O)OC 7a_100000210228_100000742655 [0,1,0,0,0,0|1,0,0]=2 1650 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,1,0,0,0,0|1,0,2]=4 1651 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [0,1,0,0,0,0|2,0,1]=4 1652 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,1,0,0,0,0|2,0,1]=4 1653 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000758301 [0,1,0,0,0,0|1,0,0]=2 1654 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000758301_100000742655 [0,1,0,0,0,0|1,0,0]=2 1655 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [0,1,0,0,0,0|1,0,2]=4 1656 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [0,1,0,0,0,0|1,0,2]=4 1657 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,1,0,0,0,0|1,0,2]=4 1658 B11R0.106 CCC(O)CNN=CC(=O)OC 4a_100015206393_200011823558 [0,1,0,0,0,0|2,0,0]=3 1659 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,1,0,0,0,0|1,0,2]=4 1660 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,1,0,0,0,0|1,0,2]=4 1661 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [0,1,0,0,0,0|2,0,1]=4 1662 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [0,1,0,0,0,0|1,0,2]=4 1663 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [0,1,0,0,0,0|1,0,2]=4 1664 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [0,1,0,0,0,0|2,0,1]=4 1665 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,1,0,0,0,0|1,0,2]=4 1666 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [0,1,0,0,0,0|1,0,2]=4 1667 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [0,1,0,0,0,0|1,0,2]=4 1668 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [0,1,0,0,0,0|2,0,1]=4 1669 B11R0.106 COC(=O)/C=C/CNC(C)C#N 2230a_100000737613_100000742655 [0,1,0,0,0,0|2,0,1]=4 1670 B11R0.106 COC(=O)/C=C/CN[C@H](C)CO 2230a_100000737577_100000742655 [0,1,0,0,0,0|2,0,0]=3 1671 B11R0.106 COC(=O)/C=C/COC(C)C#N 34a_100011218135_100000742655 [0,1,0,0,0,0|2,0,1]=4 1672 B11R0.106 COC(=O)/C=C/COC(C)CF 34a_100016041109_100000742655 [0,1,0,0,0,0|2,0,0]=3 1673 B11R0.106 COC(=O)/C=C/COC(C)CF 7a_100016041109_100000742655 [0,1,0,0,0,0|2,0,0]=3 1674 B11R0.106 COC(=O)/C=C/COC(C)CN 34a_100000210904_100000742655 [0,1,0,0,0,0|2,0,0]=3 1675 B11R0.106 COC(=O)/C=C/CSC(C)C#N 62a_100000703298_100000742655 [0,1,0,0,0,0|2,0,1]=4 1676 B11R0.106 COC(=O)/C=C/CSC(C)C#N 62a_100000742655_100000703298 [0,1,0,0,0,0|2,0,1]=4 1677 B11R0.106 COC(=O)/C=C/CSC(C)CO 62a_100012180447_100000742655 [0,1,0,0,0,0|2,0,0]=3 1678 B11R0.106 COC(=O)/C=C/CSC(C)OC 62a_100000742655_100009879195 [0,1,0,0,0,0|2,0,0]=3 1679 B11R0.106 COC(=O)/C=C/CSC(C)OC 62a_100009879195_100000742655 [0,1,0,0,0,0|2,0,0]=3 1680 B11R0.106 COC(=O)/C=C/CSC(F)C#N 62a_100000742655_200000117898 [0,1,0,0,0,0|2,0,1]=4 1681 B11R0.106 COC(=O)/C=C/CSC(F)C#N 62a_200000117898_100000742655 [0,1,0,0,0,0|2,0,1]=4 1682 B11R0.106 COC(=O)/C=C/CS[C@H](C)CO 62a_100000742655_100016084084 [0,1,0,0,0,0|2,0,0]=3 1683 B11R0.106 COC(=O)/C=C/CS[C@H](C)CO 62a_100016084084_100000742655 [0,1,0,0,0,0|2,0,0]=3 1684 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [0,1,0,0,0,0|2,0,1]=4 1685 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [0,1,0,0,0,0|2,0,1]=4 1686 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [0,1,0,0,0,0|2,0,1]=4 1687 B11R0.111 C=C(C)COC/C=C/C(=O)OC 34a_100000210245_100000742655 [0,1,0,0,0,0|1,0,1]=3 1688 B11R0.111 C=C(C)CSC/C=C/C(=O)OC 62a_100000742655_100000211660 [0,1,0,0,0,0|1,0,1]=3 1689 B11R0.111 C=C(C)CSC/C=C/C(=O)OC 62a_100000748629_100000742655 [0,1,0,0,0,0|1,0,1]=3 1690 B11R0.111 C=C(F)COC/C=C/C(=O)OC 34a_200010262243_100000742655 [0,1,0,0,0,0|1,0,2]=4 1691 B11R0.111 C=C(F)CSC/C=C/C(=O)OC 62a_100000042424_100000742655 [0,1,0,0,0,0|1,0,2]=4 1692 B11R0.111 C=C(F)CSC/C=C/C(=O)OC 62a_100000742655_100000042424 [0,1,0,0,0,0|1,0,2]=4 1693 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,1,0,0,0,0|1,0,2]=4 1694 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,1,0,0,0,0|1,0,2]=4 1695 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,1,0,0,0,0|2,0,1]=4 1696 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,1,0,0,0,0|2,0,1]=4 1697 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,1,0,0,0,0|2,0,1]=4 1698 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,1,0,0,0,0|2,0,1]=4 1699 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,1,0,0,0,0|2,0,1]=4 1700 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,1,0,0,0,0|2,0,1]=4 1701 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,1,0,0,0,0|2,0,1]=4 1702 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,1,0,0,0,0|1,0,2]=4 1703 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,1,0,0,0,0|1,0,2]=4 1704 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,1,0,0,0,0|1,0,2]=4 1705 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,1,0,0,0,0|1,0,2]=4 1706 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [0,1,0,0,0,0|2,0,1]=4 1707 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [0,1,0,0,0,0|2,0,1]=4 1708 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [0,1,0,0,0,0|2,0,1]=4 1709 B11R0.111 CNC(=O)CNCCCC(C)O 2230a_100000693194_200000718107 [0,1,0,0,0,0|2,0,1]=4 1710 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [0,1,0,0,0,0|2,0,1]=4 1711 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [0,1,0,0,0,0|2,0,1]=4 1712 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [0,1,0,0,0,0|2,0,1]=4 1713 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,1,0,0,0,0|2,0,1]=4 1714 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [0,1,0,0,0,0|2,0,1]=4 1715 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [0,1,0,0,0,0|2,0,1]=4 1716 B11R0.111 CNC(=O)CSCCCC(C)O 62a_100000183359_200000718107 [0,1,0,0,0,0|2,0,1]=4 1717 B11R0.111 CNC(=O)CSCCCC(C)O 62a_200000718107_100000183359 [0,1,0,0,0,0|2,0,1]=4 1718 B11R0.111 COC(=O)/C=C/CNCC(=O)N 2230a_100000711301_100000742655 [0,1,0,0,0,0|2,0,1]=4 1719 B11R0.111 COC(=O)/C=C/CNCC(C)C 2230a_100000210953_100000742655 [0,1,0,0,0,0|1,0,0]=2 1720 B11R0.111 COC(=O)/C=C/CNCC(C)C 34a_100000210953_100000742655 [0,1,0,0,0,0|1,0,0]=2 1721 B11R0.111 COC(=O)/C=C/CNCC(C)O 2230a_100000210904_100000742655 [0,1,0,0,0,0|1,0,0]=2 1722 B11R0.111 COC(=O)/C=C/CNCC(C)O 34a_100000210904_100000742655 [0,1,0,0,0,0|1,0,0]=2 1723 B11R0.111 COC(=O)/C=C/CNCC(F)F 34a_100000765723_100000742655 [0,1,0,0,0,0|2,0,0]=3 1724 B11R0.111 COC(=O)/C=C/COCC(=O)C 34a_100000211253_100000742655 [0,1,0,0,0,0|1,0,1]=3 1725 B11R0.111 COC(=O)/C=C/COCC(C)Br 34a_100012180447_100000742655 [0,1,0,0,0,0|1,0,0]=2 1726 B11R0.111 COC(=O)/C=C/COCC(C)C 34a_100000210257_100000742655 [0,1,0,0,0,0|1,0,0]=2 1727 B11R0.111 COC(=O)/C=C/COCC(C)F 34a_100015925927_100000742655 [0,1,0,0,0,0|1,0,0]=2 1728 B11R0.111 COC(=O)/C=C/COCC(F)F 34a_100000743014_100000742655 [0,1,0,0,0,0|2,0,0]=3 1729 B11R0.111 COC(=O)/C=C/COC[C@@H](C)Cl 34a_100016084084_100000742655 [0,1,0,0,0,0|1,0,0]=2 1730 B11R0.111 COC(=O)/C=C/COC[C@@H](C)N 34a_100000737577_100000742655 [0,1,0,0,0,0|1,0,0]=2 1731 B11R0.111 COC(=O)/C=C/CSCC(=O)N 62a_100000742655_100000747473 [0,1,0,0,0,0|2,0,1]=4 1732 B11R0.111 COC(=O)/C=C/CSCC(=O)N 62a_100000747473_100000742655 [0,1,0,0,0,0|2,0,1]=4 1733 B11R0.111 COC(=O)/C=C/CSCC(=O)[O-] 62a_100000742655_100020667443 [0,1,0,0,0,0|2,0,1]=4 1734 B11R0.111 COC(=O)/C=C/CSCC(=O)[O-] 62a_100020667443_100000742655 [0,1,0,0,0,0|2,0,1]=4 1735 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000210624_100000742655 [0,1,0,0,0,0|1,0,0]=2 1736 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000742655_100000210760 [0,1,0,0,0,0|1,0,0]=2 1737 B11R0.111 COC(=O)/C=C/CSCC(C)O 62a_100000742655_100011218427 [0,1,0,0,0,0|1,0,0]=2 1738 B11R0.111 COC(=O)/C=C/CSCC(C)O 62a_100011218427_100000742655 [0,1,0,0,0,0|1,0,0]=2 1739 B11R0.111 COC(=O)/C=C/CSCC(F)F 62a_100000742655_100011934356 [0,1,0,0,0,0|2,0,0]=3 1740 B11R0.111 COC(=O)/C=C/CSCC(F)F 62a_100011934356_100000742655 [0,1,0,0,0,0|2,0,0]=3 1741 B11R0.111 COC(=O)/C=C/CSC[C@@H](C)O 62a_100000742655_100009817552 [0,1,0,0,0,0|1,0,0]=2 1742 B11R0.111 COC(=O)/C=C/CSC[C@@H](C)O 62a_100009817552_100000742655 [0,1,0,0,0,0|1,0,0]=2 1743 B11R0.111 COC(=O)/C=C/CSC[N+](=O)[O-] 62a_100000742655_100000761209 [0,1,0,0,0,0|3,0,0]=4 1744 B11R0.111 COC(=O)C=CC=NNC(C)C 4a_100000741168_100016254430 [0,1,0,0,0,0|2,0,1]=4 1745 B11R0.111 COC(=O)CC=NNCC(C)O 4a_200000730056_200011552997 [0,1,0,0,0,0|2,0,1]=4 1746 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,0|0,0,3]=4 1747 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,0|0,0,3]=4 1748 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,0|0,0,3]=4 1749 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,1,0,0,0,0|1,0,2]=4 1750 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,1,0,0,0,0|1,0,2]=4 1751 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [0,1,0,0,0,0|1,0,2]=4 1752 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [0,1,0,0,0,0|1,0,2]=4 1753 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [0,1,0,0,0,0|1,0,2]=4 1754 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [0,1,0,0,0,0|1,0,2]=4 1755 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [0,1,0,0,0,0|1,0,2]=4 1756 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [0,1,0,0,0,0|1,0,2]=4 1757 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [0,1,0,0,0,0|1,0,2]=4 1758 B11R0.111 COC(=O)CCCNCC(C)C 2230a_100000210953_100011218270 [0,1,0,0,0,0|1,0,2]=4 1759 B11R0.111 COC(=O)CCCNCC(C)C 34a_100000210953_100000742333 [0,1,0,0,0,0|1,0,2]=4 1760 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,1,0,0,0,0|1,0,2]=4 1761 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,1,0,0,0,0|1,0,2]=4 1762 B11R0.111 COC(=O)CCCOCC(C)Br 34a_100012180447_100000742333 [0,1,0,0,0,0|1,0,2]=4 1763 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [0,1,0,0,0,0|1,0,2]=4 1764 B11R0.111 COC(=O)CCCOCC(C)F 34a_100015925927_100000742333 [0,1,0,0,0,0|1,0,2]=4 1765 B11R0.111 COC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000742333 [0,1,0,0,0,0|1,0,2]=4 1766 B11R0.111 COC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000742333 [0,1,0,0,0,0|1,0,2]=4 1767 B11R0.111 COC(=O)CCCSCC(C)C 62a_100000210624_100011218270 [0,1,0,0,0,0|1,0,2]=4 1768 B11R0.111 COC(=O)CCCSCC(C)C 62a_100011218270_100000210760 [0,1,0,0,0,0|1,0,2]=4 1769 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,1,0,0,0,0|1,0,2]=4 1770 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,1,0,0,0,0|1,0,2]=4 1771 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,1,0,0,0,0|1,0,2]=4 1772 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,1,0,0,0,0|1,0,2]=4 1773 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,1,0,0,0,0|1,0,2]=4 1774 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [0,1,0,0,0,0|1,0,2]=4 1775 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [0,1,0,0,0,0|1,0,2]=4 1776 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [0,1,0,0,0,0|1,0,2]=4 1777 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [0,1,0,0,0,0|1,0,2]=4 1778 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [0,1,0,0,0,0|1,0,2]=4 1779 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [0,1,0,0,0,0|1,0,2]=4 1780 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,1,0,0,0,0|1,0,2]=4 1781 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,1,0,0,0,0|1,0,2]=4 1782 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [0,1,0,0,0,0|1,0,1]=3 1783 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [0,1,0,0,0,0|1,0,1]=3 1784 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [0,1,0,0,0,0|2,0,1]=4 1785 B11R0.111 COC(=O)CNCCOC(C)C 2230a_100000701111_100000747449 [0,1,0,0,0,0|2,0,1]=4 1786 B11R0.111 COC(=O)CNCCOC(C)C 34a_100000701111_100000747449 [0,1,0,0,0,0|2,0,1]=4 1787 B11R0.111 COC(=O)CNCCSC(C)C 2230a_100000731138_100000747449 [0,1,0,0,0,0|2,0,1]=4 1788 B11R0.111 COC(=O)CNCCSC(C)C 34a_100000731138_100000747449 [0,1,0,0,0,0|2,0,1]=4 1789 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,1,0,0,0,0|1,0,2]=4 1790 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,1,0,0,0,0|1,0,2]=4 1791 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,1,0,0,0,0|1,0,1]=3 1792 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,1,0,0,0,0|1,0,1]=3 1793 B11R0.111 COC(=O)COCCNC(C)C 2230a_100138425928_100000090808 [0,1,0,0,0,0|2,0,1]=4 1794 B11R0.111 COC(=O)COCCNC(C)C 34a_100000224655_100000747449 [0,1,0,0,0,0|2,0,1]=4 1795 B11R0.111 COC(=O)COCCNC(C)C 34a_100138425928_100000090808 [0,1,0,0,0,0|2,0,1]=4 1796 B11R0.111 COC(=O)COCCOC(C)C 34a_100000211219_100000747449 [0,1,0,0,0,0|2,0,1]=4 1797 B11R0.111 COC(=O)COCCOC(C)C 34a_100000212225_100000090808 [0,1,0,0,0,0|2,0,1]=4 1798 B11R0.111 COC(=O)COCCOC(C)C 7a_100000211219_100000747449 [0,1,0,0,0,0|2,0,1]=4 1799 B11R0.111 COC(=O)COCCSC(C)C 34a_200011212901_100000747449 [0,1,0,0,0,0|2,0,1]=4 1800 B11R0.111 COC(=O)COCCSC(C)C 62a_100000090808_100000210206 [0,1,0,0,0,0|2,0,1]=4 1801 B11R0.111 COC(=O)COCCSC(C)C 62a_100000210206_100000090808 [0,1,0,0,0,0|2,0,1]=4 1802 B11R0.111 COC(=O)COCCSC(C)C 7a_200011212901_100000747449 [0,1,0,0,0,0|2,0,1]=4 1803 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,1,0,0,0,0|1,0,2]=4 1804 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,1,0,0,0,0|1,0,2]=4 1805 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [0,1,0,0,0,0|1,0,1]=3 1806 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [0,1,0,0,0,0|1,0,1]=3 1807 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,1,0,0,0,0|1,0,1]=3 1808 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,1,0,0,0,0|1,0,1]=3 1809 B11R0.111 COC(=O)CSCCCN(C)C 62a_100000747449_100000757444 [0,1,0,0,0,0|2,0,1]=4 1810 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000211751_100000747449 [0,1,0,0,0,0|2,0,1]=4 1811 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000747449_100000211751 [0,1,0,0,0,0|2,0,1]=4 1812 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000730970_100000747449 [0,1,0,0,0,0|2,0,1]=4 1813 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000747449_100000730970 [0,1,0,0,0,0|2,0,1]=4 1814 B11R0.111 COC(=O)NCCOCC(C)C 34a_100000757965_100000210624 [0,1,0,0,0,0|2,0,1]=4 1815 B11R0.111 COC(=O)NCCOCC(C)O 34a_100000757965_100011218427 [0,1,0,0,0,0|2,0,1]=4 1816 B11R0.111 COC(=O)NCCOC[C@@H](C)O 34a_100000757965_100009817552 [0,1,0,0,0,0|2,0,1]=4 1817 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,1,0,0,0,0|2,0,1]=4 1818 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,1,0,0,0,0|2,0,1]=4 1819 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,1,0,0,0,0|2,0,1]=4 1820 B11R0.111 COC(=O)OCSCCC(C)C 62a_100000210312_100000139417 [0,1,0,0,0,0|2,0,1]=4 1821 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,1,0,0,0,0|2,0,1]=4 1822 B11R0.142 C#CCCCNC(=O)C(=O)OC 11a_100000718082_100000024059 [0,1,0,0,0,0|1,0,2]=4 1823 B11R0.142 C#CCCCNC(=O)C(=O)OC 1626a_100000718082_100000024059 [0,1,0,0,0,0|1,0,2]=4 1824 B11R0.142 C#CCCCNC(=O)C(=O)OC 240690a_100000718082_100000024059 [0,1,0,0,0,0|1,0,2]=4 1825 B11R0.142 C#CCCCNC(=O)C(=O)OC 527a_100000718082_100000024059 [0,1,0,0,0,0|1,0,2]=4 1826 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [0,1,0,0,0,0|2,0,1]=4 1827 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100020587367 [0,1,0,0,0,0|3,0,0]=4 1828 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100020587367 [0,1,0,0,0,0|3,0,0]=4 1829 B11R0.142 C=C(CNCCCF)C(=O)OC 34a_100015189416_100009813391 [0,1,0,0,0,0|2,0,1]=4 1830 B11R0.142 C=C(COCCCBr)C(=O)OC 34a_100011217188_100009813391 [0,1,0,0,0,0|2,0,1]=4 1831 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [0,1,0,0,0,0|1,0,1]=3 1832 B11R0.142 C=C(COCCCCl)C(=O)OC 34a_100000230001_100009813391 [0,1,0,0,0,0|2,0,1]=4 1833 B11R0.142 C=C(COCCCF)C(=O)OC 34a_100000759539_100009813391 [0,1,0,0,0,0|2,0,1]=4 1834 B11R0.142 C=C(COCCCN)C(=O)OC 34a_100000182051_100009813391 [0,1,0,0,0,0|2,0,1]=4 1835 B11R0.142 C=C(COCCOC)C(=O)OC 34a_100000210237_100009813391 [0,1,0,0,0,0|2,0,1]=4 1836 B11R0.142 C=C(COCCSC)C(=O)OC 34a_100000230434_100009813391 [0,1,0,0,0,0|2,0,1]=4 1837 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [0,1,0,0,0,0|1,0,1]=3 1838 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [0,1,0,0,0,0|1,0,1]=3 1839 B11R0.142 C=C(CSCCCF)C(=O)OC 62a_100009813391_100011934791 [0,1,0,0,0,0|2,0,1]=4 1840 B11R0.142 C=C(CSCCCF)C(=O)OC 62a_100011934791_100009813391 [0,1,0,0,0,0|2,0,1]=4 1841 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100009813391_100011215043 [0,1,0,0,0,0|2,0,1]=4 1842 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100011215043_100009813391 [0,1,0,0,0,0|2,0,1]=4 1843 B11R0.142 C=C(CSCCOC)C(=O)OC 62a_100000233755_100009813391 [0,1,0,0,0,0|2,0,1]=4 1844 B11R0.142 C=C(CSCCOC)C(=O)OC 62a_100009813391_100000233755 [0,1,0,0,0,0|2,0,1]=4 1845 B11R0.142 C=C(CSCCSC)C(=O)OC 62a_100000212216_100009813391 [0,1,0,0,0,0|2,0,1]=4 1846 B11R0.142 C=C(CSCCSC)C(=O)OC 62a_100009813391_100000751147 [0,1,0,0,0,0|2,0,1]=4 1847 B11R0.142 C=C(CSCOCC)C(=O)OC 62a_100000739092_100009813391 [0,1,0,0,0,0|2,0,1]=4 1848 B11R0.142 C=C(CSCOCC)C(=O)OC 62a_100009813391_100000739092 [0,1,0,0,0,0|2,0,1]=4 1849 B11R0.142 C=CCCCNC(=O)C(=O)OC 11a_100000700776_100000024059 [0,1,0,0,0,0|1,0,2]=4 1850 B11R0.142 C=CCCCNC(=O)C(=O)OC 1626a_100000700776_100000024059 [0,1,0,0,0,0|1,0,2]=4 1851 B11R0.142 C=CCCCNC(=O)C(=O)OC 240690a_100000700776_100000024059 [0,1,0,0,0,0|1,0,2]=4 1852 B11R0.142 C=CCCCNC(=O)C(=O)OC 527a_100000700776_100000024059 [0,1,0,0,0,0|1,0,2]=4 1853 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,1,0,0,0,0|1,0,1]=3 1854 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,1,0,0,0,0|1,0,2]=4 1855 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,0,0,0,0|1,0,2]=4 1856 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,0,0,0,0|1,0,2]=4 1857 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,1,0,0,0,0|1,0,2]=4 1858 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,1,0,0,0,0|2,0,1]=4 1859 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,1,0,0,0,0|2,0,1]=4 1860 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,1,0,0,0,0|2,0,1]=4 1861 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,1,0,0,0,0|2,0,1]=4 1862 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [0,1,0,0,0,0|2,0,1]=4 1863 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [0,1,0,0,0,0|2,0,1]=4 1864 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,1,0,0,0,0|2,0,0]=3 1865 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,1,0,0,0,0|2,0,0]=3 1866 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,1,0,0,0,0|2,0,0]=3 1867 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,1,0,0,0,0|1,0,0]=2 1868 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,1,0,0,0,0|1,0,0]=2 1869 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,1,0,0,0,0|1,0,0]=2 1870 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,1,0,0,0,0|1,0,0]=2 1871 B11R0.142 CCCCCNC(=O)C(C)OC 11a_100000209983_100000743197 [0,1,0,0,0,0|2,0,1]=4 1872 B11R0.142 CCCCCNC(=O)C(C)OC 1626a_100000209983_100000743197 [0,1,0,0,0,0|2,0,1]=4 1873 B11R0.142 CCCCCNC(=O)C(C)OC 240690a_100000209983_100000743197 [0,1,0,0,0,0|2,0,1]=4 1874 B11R0.142 CCCCCNC(=O)C(C)OC 527a_100000209983_100000743197 [0,1,0,0,0,0|2,0,1]=4 1875 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,1,0,0,0,0|2,0,1]=4 1876 B11R0.142 CCCCCNC(C)C(=O)NC 2230a_100000209983_100000731044 [0,1,0,0,0,0|2,0,1]=4 1877 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,1,0,0,0,0|1,0,1]=3 1878 B11R0.142 CCCCCNC(F)C(=O)NC 2230a_100000209983_100009813575 [0,1,0,0,0,0|2,0,1]=4 1879 B11R0.142 CCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210326 [0,1,0,0,0,0|2,0,1]=4 1880 B11R0.142 CCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000718602 [0,1,0,0,0,0|2,0,1]=4 1881 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,1,0,0,0,0|2,0,1]=4 1882 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [0,1,0,0,0,0|2,0,1]=4 1883 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [0,1,0,0,0,0|2,0,1]=4 1884 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,1,0,0,0,0|1,0,1]=3 1885 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,1,0,0,0,0|1,0,1]=3 1886 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,1,0,0,0,0|1,0,1]=3 1887 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [0,1,0,0,0,0|2,0,1]=4 1888 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [0,1,0,0,0,0|2,0,1]=4 1889 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,1,0,0,0,0|2,0,1]=4 1890 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,1,0,0,0,0|2,0,1]=4 1891 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000209862_100000210326 [0,1,0,0,0,0|2,0,1]=4 1892 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000210326_100000731044 [0,1,0,0,0,0|2,0,1]=4 1893 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,1,0,0,0,0|1,0,1]=3 1894 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,1,0,0,0,0|1,0,1]=3 1895 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100000210326_100009813575 [0,1,0,0,0,0|2,0,1]=4 1896 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100009813575_100000210326 [0,1,0,0,0,0|2,0,1]=4 1897 B11R0.142 CCCCNN=C(C)C(=O)OC 4a_100025702795_100000211753 [0,1,0,0,0,0|2,0,0]=3 1898 B11R0.142 CCCCNNC(=O)C(=O)NC 22a_100025702795_100011218921 [0,1,0,0,0,0|3,0,0]=4 1899 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [0,1,0,0,0,0|2,0,1]=4 1900 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,1,0,0,0,0|1,0,1]=3 1901 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,1,0,0,0,0|1,0,2]=4 1902 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,1,0,0,0,0|1,0,2]=4 1903 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,1,0,0,0,0|1,0,2]=4 1904 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,1,0,0,0,0|1,0,2]=4 1905 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,1,0,0,0,0|1,0,2]=4 1906 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,1,0,0,0,0|1,0,1]=3 1907 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,1,0,0,0,0|1,0,1]=3 1908 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,1,0,0,0,0|1,0,2]=4 1909 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,1,0,0,0,0|1,0,2]=4 1910 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [0,1,0,0,0,0|2,0,1]=4 1911 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,1,0,0,0,0|1,0,2]=4 1912 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,1,0,0,0,0|1,0,2]=4 1913 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,1,0,0,0,0|1,0,2]=4 1914 B11R0.142 CCOCCCC(=O)C(=O)NC 1458a_100011218921_100012232248 [0,1,0,0,0,0|2,0,1]=4 1915 B11R0.142 CCOCCNC(=O)C(=O)NC 1626a_102516460346_100011218921 [0,1,0,0,0,0|3,0,0]=4 1916 B11R0.142 CCOCCNC(=O)C(=O)NC 240690a_100011200944_100011218921 [0,1,0,0,0,0|3,0,0]=4 1917 B11R0.142 CCOCCNC(=O)C(=O)NC 527a_100011200944_100011218921 [0,1,0,0,0,0|3,0,0]=4 1918 B11R0.142 CCOCCNC(=O)C(=O)OC 11a_100011200944_100000024059 [0,1,0,0,0,0|2,0,0]=3 1919 B11R0.142 CCOCCNC(=O)C(=O)OC 1626a_102516460346_100000024059 [0,1,0,0,0,0|2,0,0]=3 1920 B11R0.142 CCOCCNC(=O)C(=O)OC 240690a_100011200944_100000024059 [0,1,0,0,0,0|2,0,0]=3 1921 B11R0.142 CCOCCNC(=O)C(=O)OC 527a_100011200944_100000024059 [0,1,0,0,0,0|2,0,0]=3 1922 B11R0.142 CCOCCNC(C)C(=O)OC 2230a_102516460346_100000211248 [0,1,0,0,0,0|2,0,1]=4 1923 B11R0.142 CCOCCNC(C)C(=O)OC 34a_102516460346_100000211248 [0,1,0,0,0,0|2,0,1]=4 1924 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100000210136_100000211248 [0,1,0,0,0,0|2,0,1]=4 1925 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100011215400_100000210147 [0,1,0,0,0,0|2,0,1]=4 1926 B11R0.142 CCOCCOC(C)C(=O)OC 7a_100000210136_100000211248 [0,1,0,0,0,0|2,0,1]=4 1927 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000210147_100000211248 [0,1,0,0,0,0|2,0,1]=4 1928 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000211248_100011215890 [0,1,0,0,0,0|2,0,1]=4 1929 B11R0.142 CCOCSCC(=O)C(=O)OC 62a_100000739092_100011610305 [0,1,0,0,0,0|2,0,1]=4 1930 B11R0.142 CCOCSCC(=O)C(=O)OC 62a_100011610305_100000739092 [0,1,0,0,0,0|2,0,1]=4 1931 B11R0.142 CCSCCNC(=O)C(=O)NC 1626a_100000106463_100011218921 [0,1,0,0,0,0|3,0,0]=4 1932 B11R0.142 CCSCCNC(=O)C(=O)NC 240690a_100000106463_100011218921 [0,1,0,0,0,0|3,0,0]=4 1933 B11R0.142 CCSCCNC(=O)C(=O)NC 527a_100000106463_100011218921 [0,1,0,0,0,0|3,0,0]=4 1934 B11R0.142 CCSCCNC(=O)C(=O)OC 11a_100000106463_100000024059 [0,1,0,0,0,0|2,0,0]=3 1935 B11R0.142 CCSCCNC(=O)C(=O)OC 1626a_100000106463_100000024059 [0,1,0,0,0,0|2,0,0]=3 1936 B11R0.142 CCSCCNC(=O)C(=O)OC 240690a_100000106463_100000024059 [0,1,0,0,0,0|2,0,0]=3 1937 B11R0.142 CCSCCNC(=O)C(=O)OC 527a_100000106463_100000024059 [0,1,0,0,0,0|2,0,0]=3 1938 B11R0.142 CCSCCNC(C)C(=O)OC 2230a_100000106463_100000211248 [0,1,0,0,0,0|2,0,1]=4 1939 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100000212035_100000211248 [0,1,0,0,0,0|2,0,1]=4 1940 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100011215400_100000757381 [0,1,0,0,0,0|2,0,1]=4 1941 B11R0.142 CCSCCOC(C)C(=O)OC 7a_100000212035_100000211248 [0,1,0,0,0,0|2,0,1]=4 1942 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000211248_100000757381 [0,1,0,0,0,0|2,0,1]=4 1943 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000757381_100000211248 [0,1,0,0,0,0|2,0,1]=4 1944 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [0,1,0,0,0,0|2,0,1]=4 1945 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,1,0,0,0,0|2,0,1]=4 1946 B11R0.142 CNC(=O)C(=O)CCCCOC 1458a_100011218921_100000755781 [0,1,0,0,0,0|2,0,1]=4 1947 B11R0.142 CNC(=O)C(=O)NCCCCO 240690a_100000750430_100011218921 [0,1,0,0,0,0|3,0,0]=4 1948 B11R0.142 CNC(=O)C(=O)NCCCCO 527a_100000750430_100011218921 [0,1,0,0,0,0|3,0,0]=4 1949 B11R0.142 CNC(=O)C(=O)NCCCOC 1626a_100150723488_100011218921 [0,1,0,0,0,0|3,0,0]=4 1950 B11R0.142 CNC(=O)C(=O)NCCCOC 240690a_100150723488_100011218921 [0,1,0,0,0,0|3,0,0]=4 1951 B11R0.142 CNC(=O)C(=O)NCCCOC 527a_100150723488_100011218921 [0,1,0,0,0,0|3,0,0]=4 1952 B11R0.142 CNC(=O)C(=O)NCCCSC 1626a_100000749238_100011218921 [0,1,0,0,0,0|3,0,0]=4 1953 B11R0.142 CNC(=O)C(=O)NCCCSC 240690a_100000749238_100011218921 [0,1,0,0,0,0|3,0,0]=4 1954 B11R0.142 CNC(=O)C(=O)NCCCSC 527a_100000749238_100011218921 [0,1,0,0,0,0|3,0,0]=4 1955 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,1,0,0,0,0|2,0,1]=4 1956 B11R0.142 COC(=O)C(=O)CNCCCF 34a_100015189416_100011610305 [0,1,0,0,0,0|2,0,1]=4 1957 B11R0.142 COC(=O)C(=O)COCCCBr 34a_100011217188_100011610305 [0,1,0,0,0,0|2,0,1]=4 1958 B11R0.142 COC(=O)C(=O)COCCCCl 34a_100000230001_100011610305 [0,1,0,0,0,0|2,0,1]=4 1959 B11R0.142 COC(=O)C(=O)COCCCF 34a_100000759539_100011610305 [0,1,0,0,0,0|2,0,1]=4 1960 B11R0.142 COC(=O)C(=O)COCCCN 34a_100000182051_100011610305 [0,1,0,0,0,0|2,0,1]=4 1961 B11R0.142 COC(=O)C(=O)COCCSC 34a_100000230434_100011610305 [0,1,0,0,0,0|2,0,1]=4 1962 B11R0.142 COC(=O)C(=O)CSCCCF 62a_100011610305_100011934791 [0,1,0,0,0,0|2,0,1]=4 1963 B11R0.142 COC(=O)C(=O)CSCCCF 62a_100011934791_100011610305 [0,1,0,0,0,0|2,0,1]=4 1964 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011215043_100011610305 [0,1,0,0,0,0|2,0,1]=4 1965 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011610305_100011215043 [0,1,0,0,0,0|2,0,1]=4 1966 B11R0.142 COC(=O)C(=O)CSCCSC 62a_100000212216_100011610305 [0,1,0,0,0,0|2,0,1]=4 1967 B11R0.142 COC(=O)C(=O)CSCCSC 62a_100011610305_100000751147 [0,1,0,0,0,0|2,0,1]=4 1968 B11R0.142 COC(=O)C(=O)NCCCCO 240690a_100000750430_100000024059 [0,1,0,0,0,0|2,0,0]=3 1969 B11R0.142 COC(=O)C(=O)NCCCCO 527a_100000750430_100000024059 [0,1,0,0,0,0|2,0,0]=3 1970 B11R0.142 COC(=O)C(=O)NCCCSC 11a_100000749238_100000024059 [0,1,0,0,0,0|2,0,0]=3 1971 B11R0.142 COC(=O)C(=O)NCCCSC 1626a_100000749238_100000024059 [0,1,0,0,0,0|2,0,0]=3 1972 B11R0.142 COC(=O)C(=O)NCCCSC 240690a_100000749238_100000024059 [0,1,0,0,0,0|2,0,0]=3 1973 B11R0.142 COC(=O)C(=O)NCCCSC 527a_100000749238_100000024059 [0,1,0,0,0,0|2,0,0]=3 1974 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,1,0,0,0,0|2,0,1]=4 1975 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,1,0,0,0,0|2,0,1]=4 1976 B11R0.142 COC(=O)C(C)NCCCSC 2230a_100000749238_100000211248 [0,1,0,0,0,0|2,0,1]=4 1977 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,1,0,0,0,0|2,0,1]=4 1978 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,1,0,0,0,0|2,0,1]=4 1979 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,1,0,0,0,0|2,0,1]=4 1980 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,1,0,0,0,0|2,0,1]=4 1981 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,1,0,0,0,0|2,0,1]=4 1982 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,1,0,0,0,0|2,0,1]=4 1983 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,1,0,0,0,0|2,0,1]=4 1984 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,1,0,0,0,0|2,0,1]=4 1985 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,1,0,0,0,0|2,0,1]=4 1986 B11R0.142 COC(=O)C(C)OCCCSC 34a_100000690336_100000211248 [0,1,0,0,0,0|2,0,1]=4 1987 B11R0.142 COC(=O)C(C)OCCCSC 7a_100000690336_100000211248 [0,1,0,0,0,0|2,0,1]=4 1988 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,1,0,0,0,0|2,0,1]=4 1989 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,1,0,0,0,0|2,0,1]=4 1990 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,1,0,0,0,0|2,0,1]=4 1991 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,1,0,0,0,0|2,0,1]=4 1992 B11R0.142 COCCCNC(=O)C(=O)OC 1626a_100150723488_100000024059 [0,1,0,0,0,0|2,0,0]=3 1993 B11R0.142 COCCCNC(=O)C(=O)OC 240690a_100150723488_100000024059 [0,1,0,0,0,0|2,0,0]=3 1994 B11R0.142 COCCCNC(=O)C(=O)OC 527a_100150723488_100000024059 [0,1,0,0,0,0|2,0,0]=3 1995 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [0,1,0,0,0,0|2,0,1]=4 1996 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [0,1,0,0,0,0|2,0,1]=4 1997 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [0,1,0,0,0,0|2,0,1]=4 1998 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [0,1,0,0,0,0|2,0,1]=4 1999 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [0,1,0,0,0,0|2,0,1]=4 2000 B11R0.142 COCCOCC(=O)C(=O)OC 34a_100000210237_100011610305 [0,1,0,0,0,0|2,0,1]=4 2001 B11R0.142 COCCSCC(=O)C(=O)OC 62a_100000233755_100011610305 [0,1,0,0,0,0|2,0,1]=4 2002 B11R0.142 COCCSCC(=O)C(=O)OC 62a_100011610305_100000233755 [0,1,0,0,0,0|2,0,1]=4 2003 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [0,1,0,0,0,0|1,0,2]=4 2004 B11R0.154 C#CCCCC(=O)CC(=O)OC 1458a_100000211351_100000731252 [0,1,0,0,0,0|0,0,3]=4 2005 B11R0.154 C#CCCCC(=O)CC(=O)OC 1458a_100000690238_100000747449 [0,1,0,0,0,0|0,0,3]=4 2006 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,1,0,0,0,0|1,0,2]=4 2007 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000211351_100000757094 [0,1,0,0,0,0|0,0,3]=4 2008 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000766728_100000747449 [0,1,0,0,0,0|0,0,3]=4 2009 B11R0.154 CC/C=C/CC(=O)CC(=O)OC 1458a_100016274230_100000747449 [0,1,0,0,0,0|0,0,3]=4 2010 B11R0.154 CC/C=C\CC(=O)CC(=O)OC 1458a_100000211351_100103147603 [0,1,0,0,0,0|0,0,3]=4 2011 B11R0.154 CCC#CCC(=O)CC(=O)OC 1458a_100000211351_100009813939 [0,1,0,0,0,0|0,0,3]=4 2012 B11R0.154 CCC(=CC(=O)CCCCF)C 1458a_100020758463_100000729493 [0,1,0,0,0,0|3,0,0]=4 2013 B11R0.154 CCC(=CC(=O)CCCCO)C 1458a_100020758463_100000210776 [0,1,0,0,0,0|3,0,0]=4 2014 B11R0.154 CCC(=CC(=O)CCCOC)C 1458a_100020758463_100000740836 [0,1,0,0,0,0|3,0,0]=4 2015 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,1,0,0,0,0|2,0,1]=4 2016 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [0,1,0,0,0,0|2,0,1]=4 2017 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [0,1,0,0,0,0|2,0,1]=4 2018 B11R0.154 CCCC#CC(=O)CC(=O)OC 1458a_200011218047_100000747449 [0,1,0,0,0,0|0,0,3]=4 2019 B11R0.154 CCCC=CC(=O)CC(=O)OC 1458a_100000212230_100000747449 [0,1,0,0,0,0|0,0,3]=4 2020 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,1,0,0,0,0|2,0,0]=3 2021 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,1,0,0,0,0|1,0,1]=3 2022 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,1,0,0,0,0|1,0,1]=3 2023 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,0,0,0,0|2,0,1]=4 2024 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,1,0,0,0,0|1,0,1]=3 2025 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,0,0,0,0|0,0,1]=2 2026 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,0,0,0,0|0,0,1]=2 2027 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,0,0,0,0|2,0,1]=4 2028 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,0,0,0,0|2,0,1]=4 2029 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,0,0,0,0|2,0,1]=4 2030 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,0,0,0,0|2,0,1]=4 2031 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,1,0,0,0,0|2,0,1]=4 2032 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,1,0,0,0,0|2,0,1]=4 2033 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,1,0,0,0,0|2,0,1]=4 2034 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,1,0,0,0,0|2,0,1]=4 2035 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,1,0,0,0,0|2,0,1]=4 2036 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,1,0,0,0,0|2,0,1]=4 2037 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,1,0,0,0,0|2,0,1]=4 2038 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,1,0,0,0,0|2,0,1]=4 2039 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,1,0,0,0,0|2,0,1]=4 2040 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,1,0,0,0,0|2,0,1]=4 2041 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,1,0,0,0,0|1,0,1]=3 2042 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,1,0,0,0,0|1,0,1]=3 2043 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,1,0,0,0,0|1,0,1]=3 2044 B11R0.154 CCCCNC(=O)C=C(C)CC 11a_100000102301_100020758463 [0,1,0,0,0,0|3,0,0]=4 2045 B11R0.154 CCCCNC(=O)C=C(C)CC 1626a_100000102301_100020758463 [0,1,0,0,0,0|3,0,0]=4 2046 B11R0.154 CCCCNC(=O)C=C(C)CC 240690a_100000102301_100020758463 [0,1,0,0,0,0|3,0,0]=4 2047 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [0,1,0,0,0,0|2,0,1]=4 2048 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [0,1,0,0,0,0|1,0,1]=3 2049 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,1,0,0,0,0|1,0,2]=4 2050 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,1,0,0,0,0|1,0,2]=4 2051 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,1,0,0,0,0|2,0,1]=4 2052 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,1,0,0,0,0|1,0,2]=4 2053 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,1,0,0,0,0|1,0,2]=4 2054 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,1,0,0,0,0|1,0,2]=4 2055 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,1,0,0,0,0|1,0,2]=4 2056 B11R0.154 CCCNN=C(C)CC(=O)OC 4a_100000740057_100000210079 [0,1,0,0,0,0|2,0,1]=4 2057 B11R0.154 CCCNNC(=O)CC(=O)OC 22a_100000740057_100000211351 [0,1,0,0,0,0|2,0,1]=4 2058 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [0,1,0,0,0,0|2,0,1]=4 2059 B11R0.154 CCCOCC(=O)CC(=O)NC 1458a_100000745993_100000183359 [0,1,0,0,0,0|2,0,1]=4 2060 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [0,1,0,0,0,0|1,0,1]=3 2061 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,1,0,0,0,0|1,0,2]=4 2062 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [0,1,0,0,0,0|2,0,1]=4 2063 B11R0.154 CCCSCC(=O)CC(=O)NC 1458a_100000217233_100000183359 [0,1,0,0,0,0|2,0,1]=4 2064 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [0,1,0,0,0,0|1,0,1]=3 2065 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [0,1,0,0,0,0|1,0,1]=3 2066 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [0,1,0,0,0,0|1,0,1]=3 2067 B11R0.154 CCCSCC(=O)NC(=O)OC 62a_100000210303_100000010850 [0,1,0,0,0,0|2,0,0]=3 2068 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,1,0,0,0,0|1,0,2]=4 2069 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,1,0,0,0,0|1,0,2]=4 2070 B11R0.154 CCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215890 [0,1,0,0,0,0|3,0,0]=4 2071 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [0,1,0,0,0,0|2,0,1]=4 2072 B11R0.154 CCOCCC(=O)CC(=O)NC 1458a_100000749530_100000183359 [0,1,0,0,0,0|2,0,1]=4 2073 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [0,1,0,0,0,0|1,0,1]=3 2074 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [0,1,0,0,0,0|1,0,1]=3 2075 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [0,1,0,0,0,0|2,0,1]=4 2076 B11R0.154 CCSCCC(=O)C=C(C)CC 1458a_100020758463_100000757381 [0,1,0,0,0,0|3,0,0]=4 2077 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [0,1,0,0,0,0|2,0,1]=4 2078 B11R0.154 CCSCCC(=O)CC(=O)NC 1458a_100000230768_100000183359 [0,1,0,0,0,0|2,0,1]=4 2079 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [0,1,0,0,0,0|1,0,1]=3 2080 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [0,1,0,0,0,0|1,0,1]=3 2081 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [0,1,0,0,0,0|2,0,1]=4 2082 B11R0.154 CNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183359 [0,1,0,0,0,0|2,0,1]=4 2083 B11R0.154 CNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183359 [0,1,0,0,0,0|2,0,1]=4 2084 B11R0.154 CNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183359 [0,1,0,0,0,0|2,0,1]=4 2085 B11R0.154 COC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747449 [0,1,0,0,0,0|1,0,2]=4 2086 B11R0.154 COC(=O)CC(=O)CCCC#N 1458a_100000211351_100000211468 [0,1,0,0,0,0|1,0,2]=4 2087 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [0,1,0,0,0,0|1,0,1]=3 2088 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [0,1,0,0,0,0|1,0,1]=3 2089 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [0,1,0,0,0,0|1,0,1]=3 2090 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [0,1,0,0,0,0|1,0,1]=3 2091 B11R0.154 COC(=O)CC(=O)COCCO 1458a_100000708028_100000747449 [0,1,0,0,0,0|2,0,1]=4 2092 B11R0.154 COC(=O)CC(=O)CSCCF 62a_100000210525_100011217306 [0,1,0,0,0,0|2,0,1]=4 2093 B11R0.154 COC(=O)CC(=O)CSCCF 62a_100011217306_100000210525 [0,1,0,0,0,0|2,0,1]=4 2094 B11R0.154 COC(=O)CC(=O)CSCCO 62a_100000210525_100000211926 [0,1,0,0,0,0|2,0,1]=4 2095 B11R0.154 COC(=O)CC(=O)CSCCO 62a_100000211926_100000210525 [0,1,0,0,0,0|2,0,1]=4 2096 B11R0.154 COC(=O)CC(=O)CSCSC 62a_100000210525_100011218213 [0,1,0,0,0,0|2,0,1]=4 2097 B11R0.154 COC(=O)CC(=O)CSCSC 62a_100011218213_100000210525 [0,1,0,0,0,0|2,0,1]=4 2098 B11R0.154 COC(=O)CC(=O)NCCCF 240690a_100015189416_100000211351 [0,1,0,0,0,0|2,0,1]=4 2099 B11R0.154 COC(=O)CC(=O)NCCCO 240690a_100000182051_100000211351 [0,1,0,0,0,0|2,0,1]=4 2100 B11R0.154 COC(=O)CC(=O)NCCSC 240690a_100020590264_100000211351 [0,1,0,0,0,0|2,0,1]=4 2101 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [0,1,0,0,0,0|2,0,1]=4 2102 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [0,1,0,0,0,0|2,0,1]=4 2103 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [0,1,0,0,0,0|2,0,1]=4 2104 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [0,1,0,0,0,0|2,0,1]=4 2105 B11R0.154 COC(=O)NC(=O)CSCCF 62a_100011217306_100000010850 [0,1,0,0,0,0|3,0,0]=4 2106 B11R0.154 COC(=O)NC(=O)CSCCO 62a_100000211926_100000010850 [0,1,0,0,0,0|3,0,0]=4 2107 B11R0.154 COC(=O)NC(=O)CSCSC 62a_100011218213_100000010850 [0,1,0,0,0,0|3,0,0]=4 2108 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [0,1,0,0,0,0|1,0,1]=3 2109 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [0,1,0,0,0,0|1,0,1]=3 2110 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [0,1,0,0,0,0|2,0,1]=4 2111 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [0,1,0,0,0,0|2,0,1]=4 2112 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [0,1,0,0,0,0|2,0,1]=4 2113 B11R0.154 COCCNC(=O)CC(=O)OC 240690a_100000209980_100000211351 [0,1,0,0,0,0|2,0,1]=4 2114 B11R0.154 COCSCC(=O)CC(=O)OC 62a_100000210525_100000766300 [0,1,0,0,0,0|2,0,1]=4 2115 B11R0.154 COCSCC(=O)CC(=O)OC 62a_100000766300_100000210525 [0,1,0,0,0,0|2,0,1]=4 2116 B11R0.154 COCSCC(=O)NC(=O)OC 62a_100000766300_100000010850 [0,1,0,0,0,0|3,0,0]=4 2117 B11R0.174 C#CCN(C)C/C=C/C(=O)OC 2230a_100000225692_100000742655 [0,1,0,0,0,0|1,0,2]=4 2118 B11R0.174 C#CCN(C)C/C=C/C(=O)OC 34a_100000225692_100000742655 [0,1,0,0,0,0|1,0,2]=4 2119 B11R0.174 C=CCN(C)C/C=C/C(=O)OC 2230a_100000225617_100000742655 [0,1,0,0,0,0|1,0,2]=4 2120 B11R0.174 C=CCN(C)C/C=C/C(=O)OC 269982a_100000225617_100000742655 [0,1,0,0,0,0|1,0,2]=4 2121 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|0,0,3]=4 2122 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|0,0,3]=4 2123 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [0,1,0,0,0,0|1,0,2]=4 2124 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [0,1,0,0,0,0|1,0,2]=4 2125 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [0,1,0,0,0,0|1,0,2]=4 2126 B11R0.174 CCCC(=O)NN=CC(=O)OC 4a_100000189770_200011823558 [0,1,0,0,0,0|2,0,1]=4 2127 B11R0.174 CCCC(C)CNCC(=O)NC 2230a_100000693194_100011216630 [0,1,0,0,0,0|2,0,1]=4 2128 B11R0.174 CCCC(C)CNCC(=O)NC 270004a_100000693194_100000243154 [0,1,0,0,0,0|2,0,1]=4 2129 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,1,0,0,0,0|2,0,1]=4 2130 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,1,0,0,0,0|2,0,1]=4 2131 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [0,1,0,0,0,0|2,0,1]=4 2132 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [0,1,0,0,0,0|2,0,1]=4 2133 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [0,1,0,0,0,0|2,0,1]=4 2134 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,1,0,0,0,0|1,0,1]=3 2135 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,1,0,0,0,0|1,0,1]=3 2136 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,1,0,0,0,0|2,0,1]=4 2137 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,1,0,0,0,0|2,0,1]=4 2138 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100000183359_100011216630 [0,1,0,0,0,0|2,0,1]=4 2139 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100011216630_100000183359 [0,1,0,0,0,0|2,0,1]=4 2140 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,1,0,0,0,0|1,0,1]=3 2141 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,1,0,0,0,0|1,0,1]=3 2142 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [0,1,0,0,0,0|1,0,2]=4 2143 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,1,0,0,0,0|1,0,2]=4 2144 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,1,0,0,0,0|1,0,2]=4 2145 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [0,1,0,0,0,0|1,0,2]=4 2146 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [0,1,0,0,0,0|1,0,2]=4 2147 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [0,1,0,0,0,0|2,0,1]=4 2148 B11R0.174 CCCN(C)C/C=C/C(=O)OC 2230a_100000747261_100000742655 [0,1,0,0,0,0|1,0,0]=2 2149 B11R0.174 CCCN(C)C/C=C/C(=O)OC 269982a_100000747261_100000742655 [0,1,0,0,0,0|1,0,0]=2 2150 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [0,1,0,0,0,0|1,0,2]=4 2151 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [0,1,0,0,0,0|1,0,2]=4 2152 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [0,1,0,0,0,0|1,0,2]=4 2153 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [0,1,0,0,0,0|2,0,1]=4 2154 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,1,0,0,0,0|1,0,1]=3 2155 B11R0.174 COC(=O)/C=C/CN(C)CC#N 2230a_100000748184_100000742655 [0,1,0,0,0,0|2,0,1]=4 2156 B11R0.174 COC(=O)/C=C/CN(C)CCO 2230a_100000210263_100000742655 [0,1,0,0,0,0|2,0,0]=3 2157 B11R0.174 COC(=O)/C=C/CN(C)CCO 269982a_100000210263_100000742655 [0,1,0,0,0,0|2,0,0]=3 2158 B11R0.174 COC(=O)COCC(C)CCN 34a_106354213184_100000747449 [0,1,0,0,0,0|2,0,1]=4 2159 B11R0.174 COCC(N)COCC(=O)OC 34a_100000724102_100000747449 [0,1,0,0,0,0|2,0,1]=4 2160 B11R0.174 COCC(O)CNCC(=O)OC 2230a_100000756049_100000747449 [0,1,0,0,0,0|2,0,1]=4 2161 B11R0.174 COCC(O)CNCC(=O)OC 34a_100000756049_100000747449 [0,1,0,0,0,0|2,0,1]=4 2162 B11R0.174 COCC(O)CSCC(=O)OC 62a_100000747449_100011215053 [0,1,0,0,0,0|2,0,1]=4 2163 B11R0.174 COCC(O)CSCC(=O)OC 62a_100011215053_100000747449 [0,1,0,0,0,0|2,0,1]=4 2164 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,0,0,1,0,0|1,0,2]=4 2165 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [0,0,0,1,0,0|2,0,1]=4 2166 B11R1.25 CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210202 [0,0,0,1,0,0|1,0,2]=4 2167 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,0,0,1,0,0|1,0,2]=4 2168 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,0,0,1,0,0|1,0,2]=4 2169 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,0,0,1,0,0|2,0,1]=4 2170 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,0,0,1,0,0|2,0,1]=4 2171 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,0,0,1,0,0|2,0,1]=4 2172 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,0,0,1,0,0|2,0,1]=4 2173 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,0,0,1,0,0|2,0,1]=4 2174 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,0,0,1,0,0|2,0,1]=4 2175 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,0,0,1,0,0|2,0,1]=4 2176 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,0,0,1,0,0|2,0,1]=4 2177 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,0,0,1,0,0|2,0,1]=4 2178 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [0,0,0,1,0,0|3,0,0]=4 2179 B11R1.25 CNC(=O)C=CC1=CCCC1 11a_106832991635_100016262312 [0,0,0,1,0,0|1,0,2]=4 2180 B11R1.25 CNC(=O)C=CC1=CCCC1 1626a_100102657272_100016262312 [0,0,0,1,0,0|1,0,2]=4 2181 B11R1.25 CNC(=O)C=CC1=CCCC1 240690a_100102657272_100016262312 [0,0,0,1,0,0|1,0,2]=4 2182 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,0,0,1,0,0|1,0,2]=4 2183 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,0,0,1,0,0|1,0,2]=4 2184 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,0,0,1,0,0|1,0,2]=4 2185 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,0,0,1,0,0|1,0,2]=4 2186 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,0,0,1,0,0|2,0,1]=4 2187 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,0,0,1,0,0|2,0,1]=4 2188 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,0,0,1,0,0|2,0,1]=4 2189 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,0,0,1,0,0|2,0,1]=4 2190 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,0,0,1,0,0|2,0,1]=4 2191 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,0,0,1,0,0|2,0,1]=4 2192 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,0,0,1,0,0|2,0,1]=4 2193 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,0,0,1,0,0|2,0,1]=4 2194 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,0,0,1,0,0|2,0,1]=4 2195 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,0,0,1,0,0|2,0,1]=4 2196 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,0,0,1,0,0|2,0,1]=4 2197 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,0,0,1,0,0|2,0,1]=4 2198 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,0,0,1,0,0|2,0,1]=4 2199 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,0,0,1,0,0|2,0,1]=4 2200 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,0,0,1,0,0|2,0,1]=4 2201 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,0,0,1,0,0|2,0,1]=4 2202 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,0,0,1,0,0|2,0,1]=4 2203 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,0,0,1,0,0|2,0,1]=4 2204 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,0,0,1,0,0|2,0,1]=4 2205 B11R1.25 CNC(=O)NNC1CCCC1 273464a_100102657272_100000737850 [0,0,0,1,0,0|3,0,0]=4 2206 B11R1.25 CNC(=O)NNC1CCCC1 512a_106832991638_100000737850 [0,0,0,1,0,0|3,0,0]=4 2207 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,0,0,1,0,0|1,0,2]=4 2208 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,0,0,1,0,0|1,0,2]=4 2209 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,0,0,1,0,0|1,0,1]=3 2210 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,0,0,1,0,0|1,0,1]=3 2211 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [0,0,0,1,0,0|2,0,1]=4 2212 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [0,0,0,1,0,0|2,0,1]=4 2213 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [0,0,0,1,0,0|2,0,1]=4 2214 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,0,0,1,0,0|1,0,1]=3 2215 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,0,0,1,0,0|1,0,1]=3 2216 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [0,0,0,1,0,0|2,0,1]=4 2217 B11R1.25 COC(=O)COC1CCSC1 7a_100011232664_100000747449 [0,0,0,1,0,0|2,0,1]=4 2218 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [0,0,0,1,0,0|2,0,1]=4 2219 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,0,0,1,0,0|1,0,1]=3 2220 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,0,0,1,0,0|1,0,1]=3 2221 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [0,0,0,1,0,0|2,0,1]=4 2222 B11R1.27 C#CCNCC1=CC(=O)OC1 34a_100000212058_100000716558 [0,0,0,1,0,0|1,0,2]=4 2223 B11R1.27 C#CCOCC1=CC(=O)OC1 34a_100000210247_100000716558 [0,0,0,1,0,0|1,0,2]=4 2224 B11R1.27 C#CCSCC1=CC(=O)OC1 62a_100000038162_100000716558 [0,0,0,1,0,0|1,0,2]=4 2225 B11R1.27 C=CCOCC1=CC(=O)OC1 34a_200000210373_100000716558 [0,0,0,1,0,0|1,0,2]=4 2226 B11R1.27 C=CCSCC1=CC(=O)OC1 62a_100000210623_100000716558 [0,0,0,1,0,0|1,0,2]=4 2227 B11R1.27 C=CCSCC1=CC(=O)OC1 62a_100000716558_100000210623 [0,0,0,1,0,0|1,0,2]=4 2228 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,1,0,0|2,0,1]=4 2229 B11R1.27 CCCCCc1noc(n1)C 270196a_200011207956_100000070787 [0,0,0,1,0,0|3,0,0]=4 2230 B11R1.27 CCCCCc1noc(n1)O 270196a_200011207956_100015183105 [0,0,0,1,0,0|2,0,1]=4 2231 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,0,1,0,0|2,0,1]=4 2232 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,0,1,0,0|2,0,1]=4 2233 B11R1.27 CCCCSc1cc(on1)C 62a_100000210211_100000716708 [0,0,0,1,0,0|3,0,0]=4 2234 B11R1.27 CCCCSc1cc(on1)C 62a_100000716708_100000210210 [0,0,0,1,0,0|3,0,0]=4 2235 B11R1.27 CCCNCc1cc(on1)C 207a_100020643023_100011217994 [0,0,0,1,0,0|3,0,0]=4 2236 B11R1.27 CCCNCc1cc(on1)C 2230a_100000745230_100000210303 [0,0,0,1,0,0|3,0,0]=4 2237 B11R1.27 CCCNCc1cc(on1)C 270004a_100020643023_100011217994 [0,0,0,1,0,0|3,0,0]=4 2238 B11R1.27 CCCNCc1cc(on1)C 34a_100000745230_100000210303 [0,0,0,1,0,0|3,0,0]=4 2239 B11R1.27 CCCNN=C1C=C(OC1)C 4a_100000740057_200009860027 [0,0,0,1,0,0|3,0,0]=4 2240 B11R1.27 CCCNN=C1COC(=O)C1 4a_100000740057_100000211896 [0,0,0,1,0,0|2,0,1]=4 2241 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,0,0,1,0,0|1,0,0]=2 2242 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,0|2,0,1]=4 2243 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,0,0,1,0,0|2,0,1]=4 2244 B11R1.27 CCCOCc1cc(on1)C 34a_100000210258_100000199038 [0,0,0,1,0,0|3,0,0]=4 2245 B11R1.27 CCCOCc1cc(on1)C 34a_100011216401_100000210303 [0,0,0,1,0,0|3,0,0]=4 2246 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,0,0,1,0,0|1,0,0]=2 2247 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,0,0,1,0,0|1,0,0]=2 2248 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,0|2,0,1]=4 2249 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,0|2,0,1]=4 2250 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,0,0,1,0,0|2,0,1]=4 2251 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,0,0,1,0,0|2,0,1]=4 2252 B11R1.27 CCCSCc1cc(on1)C 62a_100000199038_100000210303 [0,0,0,1,0,0|3,0,0]=4 2253 B11R1.27 CCCSCc1cc(on1)C 62a_100000210303_100000199038 [0,0,0,1,0,0|3,0,0]=4 2254 B11R1.27 COCSCC1=CC(=O)OC1 62a_100000716558_100000766300 [0,0,0,1,0,0|2,0,0]=3 2255 B11R1.27 COCSCC1=CC(=O)OC1 62a_100000766300_100000716558 [0,0,0,1,0,0|2,0,0]=3 2256 B11R1.27 CSCSCC1=CC(=O)OC1 62a_100000716558_100011218213 [0,0,0,1,0,0|2,0,0]=3 2257 B11R1.27 CSCSCC1=CC(=O)OC1 62a_100011218213_100000716558 [0,0,0,1,0,0|2,0,0]=3 2258 B11R1.27 N#CCSCC1=CC(=O)OC1 62a_100000716558_100011215382 [0,0,0,1,0,0|2,0,1]=4 2259 B11R1.27 N#CCSCC1=CC(=O)OC1 62a_100011215382_100000716558 [0,0,0,1,0,0|2,0,1]=4 2260 B11R1.27 NCCOCC1=CC(=O)OC1 34a_100000210304_100000716558 [0,0,0,1,0,0|2,0,0]=3 2261 B11R1.27 O=C1C=C(CO1)CNCCF 34a_100000724931_100000716558 [0,0,0,1,0,0|2,0,0]=3 2262 B11R1.27 O=C1C=C(CO1)CNCCO 34a_100016990907_100000716558 [0,0,0,1,0,0|2,0,0]=3 2263 B11R1.27 O=C1C=C(CO1)COCCBr 34a_100000211926_100000716558 [0,0,0,1,0,0|2,0,0]=3 2264 B11R1.27 O=C1C=C(CO1)CSCCF 62a_100000716558_100011217306 [0,0,0,1,0,0|2,0,0]=3 2265 B11R1.27 O=C1C=C(CO1)CSCCF 62a_100011217306_100000716558 [0,0,0,1,0,0|2,0,0]=3 2266 B11R1.27 O=C1C=C(CO1)CSCCO 62a_100000211926_100000716558 [0,0,0,1,0,0|2,0,0]=3 2267 B11R1.27 O=C1C=C(CO1)CSCCO 62a_100000716558_100000211926 [0,0,0,1,0,0|2,0,0]=3 2268 B11R1.27 O=CCSCC1=CC(=O)OC1 62a_100000716558_200015260668 [0,0,0,1,0,0|2,0,1]=4 2269 B11R1.27 O=CCSCC1=CC(=O)OC1 62a_200015260668_100000716558 [0,0,0,1,0,0|2,0,1]=4 2270 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,0,0,1,0,0|1,0,0]=2 2271 B11R1.40 CCC(=O)C=C1CCOCC1 1458a_100000761426_100000210202 [0,0,0,1,0,0|2,0,0]=3 2272 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [0,0,0,1,0,0|1,0,2]=4 2273 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,0,0,1,0,0|1,0,2]=4 2274 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,0,0,1,0,0|1,0,2]=4 2275 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,0,0,1,0,0|2,0,1]=4 2276 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,0,0,1,0,0|2,0,1]=4 2277 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,0,0,1,0,0|2,0,1]=4 2278 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,0,0,1,0,0|2,0,1]=4 2279 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,0,0,1,0,0|2,0,1]=4 2280 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,0,0,1,0,0|1,0,0]=2 2281 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,0,0,1,0,0|1,0,0]=2 2282 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,0,0,1,0,0|1,0,0]=2 2283 B11R1.40 CNC(=O)C=C1CCOCC1 11a_106832991635_100000761426 [0,0,0,1,0,0|2,0,0]=3 2284 B11R1.40 CNC(=O)C=C1CCOCC1 240690a_100102657272_100000761426 [0,0,0,1,0,0|2,0,0]=3 2285 B11R1.40 CNC(=O)CC1=CCCCC1 11a_106832991635_100000039269 [0,0,0,1,0,0|1,0,2]=4 2286 B11R1.40 CNC(=O)CC1=CCCCC1 1626a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 2287 B11R1.40 CNC(=O)CC1=CCCCC1 240690a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 2288 B11R1.40 CNC(=O)CC1=CCCCC1 527a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 2289 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,0,0,1,0,0|1,0,2]=4 2290 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,0,0,1,0,0|1,0,2]=4 2291 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,0,0,1,0,0|1,0,2]=4 2292 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,0,0,1,0,0|1,0,2]=4 2293 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,0,0,1,0,0|2,0,1]=4 2294 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,0,0,1,0,0|2,0,1]=4 2295 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,0,0,1,0,0|2,0,1]=4 2296 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,0,0,1,0,0|2,0,1]=4 2297 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,0,0,1,0,0|2,0,1]=4 2298 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,0,0,1,0,0|2,0,1]=4 2299 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,0,0,1,0,0|2,0,1]=4 2300 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [0,0,0,1,0,0|2,0,1]=4 2301 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [0,0,0,1,0,0|2,0,1]=4 2302 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [0,0,0,1,0,0|2,0,1]=4 2303 B11R1.40 COC(=O)CN1CCOCC1 2230a_100015191051_100000747449 [0,0,0,1,0,0|2,0,1]=4 2304 B11R1.40 COC(=O)CN1CCOCC1 269982a_100015191051_100000747449 [0,0,0,1,0,0|2,0,1]=4 2305 B11R1.40 COC(=O)CN1CCOCC1 34a_100015191051_100000747449 [0,0,0,1,0,0|2,0,1]=4 2306 B11R1.40 COC(=O)CN1CCSCC1 2230a_100000737611_100000747449 [0,0,0,1,0,0|2,0,1]=4 2307 B11R1.40 COC(=O)CN1CCSCC1 269982a_100000737611_100000747449 [0,0,0,1,0,0|2,0,1]=4 2308 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,0,0,1,0,0|2,0,0]=3 2309 B11R1.40 O=C(C=C1CCOCC1)CF 1458a_100000761426_100015361967 [0,0,0,1,0,0|3,0,0]=4 2310 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,0,0,1,0,0|2,0,1]=4 2311 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,0,0,1,0,0|2,0,1]=4 2312 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,0,0,1,0,0|2,0,1]=4 2313 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,0,0,1,0,0|2,0,1]=4 2314 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [0,0,0,1,0,0|2,0,1]=4 2315 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [0,0,0,1,0,0|2,0,1]=4 2316 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [0,0,0,1,0,0|1,0,2]=4 2317 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [0,0,0,1,0,0|1,0,2]=4 2318 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [0,0,0,1,0,0|2,0,1]=4 2319 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [0,0,0,1,0,0|2,0,1]=4 2320 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,0,0,1,0,0|1,0,2]=4 2321 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,0,0,1,0,0|1,0,2]=4 2322 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,0,0,1,0,0|1,0,2]=4 2323 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,0,0,1,0,0|1,0,2]=4 2324 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [0,0,0,1,0,0|1,0,2]=4 2325 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [0,0,0,1,0,0|1,0,2]=4 2326 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [0,0,0,1,0,0|1,0,2]=4 2327 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [0,0,0,1,0,0|1,0,2]=4 2328 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [0,0,0,1,0,0|1,0,2]=4 2329 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [0,0,0,1,0,0|1,0,2]=4 2330 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,0,0,1,0,0|2,0,1]=4 2331 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,0,0,1,0,0|2,0,1]=4 2332 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,0,0,1,0,0|2,0,1]=4 2333 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,0,0,1,0,0|2,0,1]=4 2334 B11R1.214 CCCCc1ccc(s1)CC 271570a_100020621405_100009844052 [0,0,0,1,0,0|1,1,1]=4 2335 B11R1.214 CCCCc1cnc(s1)OC 271570a_100020621405_100000729428 [0,0,0,1,0,0|1,1,1]=4 2336 B11R1.214 CCCCc1csc(n1)OC 271570a_100020621405_100000727839 [0,0,0,1,0,0|2,0,1]=4 2337 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [0,0,0,1,0,0|1,0,2]=4 2338 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,0,0,1,0,0|1,0,2]=4 2339 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,0,0,1,0,0|2,0,1]=4 2340 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,0,0,1,0,0|2,0,1]=4 2341 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,0,0,1,0,0|2,0,1]=4 2342 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,0,0,1,0,0|2,0,1]=4 2343 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,0,0,1,0,0|1,0,2]=4 2344 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,0,0,1,0,0|1,0,2]=4 2345 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,0,0,1,0,0|1,0,2]=4 2346 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,0,0,1,0,0|1,0,2]=4 2347 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [0,0,0,1,0,0|2,0,1]=4 2348 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [0,0,0,1,0,0|2,0,1]=4 2349 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,0,0,1,0,0|1,0,2]=4 2350 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,0,0,1,0,0|1,0,2]=4 2351 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,0,0,1,0,0|1,0,2]=4 2352 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,0,0,1,0,0|1,0,2]=4 2353 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,0,0,1,0,0|1,0,2]=4 2354 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,0,0,1,0,0|1,0,2]=4 2355 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [0,0,0,1,0,0|1,0,2]=4 2356 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [0,0,0,1,0,0|1,0,2]=4 2357 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,0,0,1,0,0|2,0,1]=4 2358 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,0,0,1,0,0|2,0,1]=4 2359 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [0,0,0,1,0,0|2,0,1]=4 2360 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [0,0,0,1,0,0|2,0,1]=4 2361 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [0,0,0,1,0,0|2,0,1]=4 2362 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [0,0,0,1,0,0|2,0,1]=4 2363 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [0,0,0,1,0,0|2,0,1]=4 2364 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [0,0,0,1,0,0|1,0,1]=3 2365 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [0,0,0,1,0,0|1,0,1]=3 2366 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [0,0,0,1,0,0|1,0,1]=3 2367 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [0,0,0,1,0,0|1,0,1]=3 2368 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [0,0,0,1,0,0|1,0,1]=3 2369 B11R1.228 COC(=O)CN1CCSC1C 2230a_200011216479_100000747449 [0,0,0,1,0,0|2,0,1]=4 2370 B11R1.228 COC(=O)CN1CCSC1C 269982a_200011216479_100000747449 [0,0,0,1,0,0|2,0,1]=4 2371 B11R1.228 COC(=O)CN1CCSC1C 34a_200011216479_100000747449 [0,0,0,1,0,0|2,0,1]=4 2372 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [0,0,0,1,0,0|1,0,2]=4 2373 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [0,0,0,1,0,0|1,0,2]=4 2374 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [0,0,0,1,0,0|1,0,2]=4 2375 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [0,0,0,1,0,0|1,0,2]=4 2376 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [0,0,0,1,0,0|1,0,2]=4 2377 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [0,0,0,1,0,0|1,0,2]=4 2378 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,0,0,1,0,0|2,0,1]=4 2379 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [0,0,0,1,0,0|2,0,1]=4 2380 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [0,0,0,1,0,0|2,0,1]=4 2381 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,0,0,1,0,0|1,0,1]=3 2382 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,0,0,1,0,0|1,0,1]=3 2383 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,0,0,1,0,0|2,0,1]=4 2384 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,0,0,1,0,0|2,0,1]=4 2385 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,0,0,1,0,0|2,0,1]=4 2386 B11R1.236 CCC(=O)NNCC1CCC1 22a_200020586977_100000210414 [0,0,0,1,0,0|3,0,0]=4 2387 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000693194_100000763275 [0,0,0,1,0,0|2,0,1]=4 2388 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000738700_100000183359 [0,0,0,1,0,0|2,0,1]=4 2389 B11R1.236 CNC(=O)CNCC1CCC1 269862a_100000693194_100000753134 [0,0,0,1,0,0|2,0,1]=4 2390 B11R1.236 CNC(=O)CNCC1CCC1 34a_100000738700_100000183359 [0,0,0,1,0,0|2,0,1]=4 2391 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [0,0,0,1,0,0|2,0,1]=4 2392 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [0,0,0,1,0,0|2,0,1]=4 2393 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000183359_100000763275 [0,0,0,1,0,0|2,0,1]=4 2394 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000763275_100000183359 [0,0,0,1,0,0|2,0,1]=4 2395 B11R1.236 CNC(=O)NNCC1CCC1 273464a_100102657272_200020586977 [0,0,0,1,0,0|3,0,0]=4 2396 B11R1.236 CNC(=O)NNCC1CCC1 512a_106832991638_200020586977 [0,0,0,1,0,0|3,0,0]=4 2397 B11R1.236 CNC(=O)NNCC1CCC1 512a_200020586977_100102657272 [0,0,0,1,0,0|3,0,0]=4 2398 B11R1.236 COC(=O)/C=C/CN1CCC1 269982a_100000754969_100000742655 [0,0,0,1,0,0|1,0,0]=2 2399 B11R1.236 COC(=O)C=NNC1CCC1 4a_100000736358_200011823558 [0,0,0,1,0,0|2,0,0]=3 2400 B11R1.236 COC(=O)C=NNC1COC1 4a_100015188821_200011823558 [0,0,0,1,0,0|3,0,0]=4 2401 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [0,0,0,1,0,0|1,0,2]=4 2402 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [0,0,0,1,0,0|1,0,2]=4 2403 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [0,0,0,1,0,0|1,0,2]=4 2404 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [0,0,0,1,0,0|1,0,2]=4 2405 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [0,0,0,1,0,0|1,0,2]=4 2406 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [0,0,0,1,0,0|1,0,1]=3 2407 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [0,0,0,1,0,0|1,0,1]=3 2408 B11R1.236 COC(=O)CNCC1COC1 2230a_100015281925_100000747449 [0,0,0,1,0,0|2,0,1]=4 2409 B11R1.236 COC(=O)CNCC1COC1 34a_100015281925_100000747449 [0,0,0,1,0,0|2,0,1]=4 2410 B11R1.236 COC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747449 [0,0,0,1,0,0|2,0,1]=4 2411 B11R1.236 COC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000747449 [0,0,0,1,0,0|2,0,1]=4 2412 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [0,0,0,1,0,0|1,0,1]=3 2413 B11R1.236 COC(=O)COCC1CCO1 34a_100000039022_100000747449 [0,0,0,1,0,0|2,0,1]=4 2414 B11R1.236 COC(=O)COCC1CNC1 34a_100016987283_100000747449 [0,0,0,1,0,0|2,0,1]=4 2415 B11R1.236 COC(=O)COCC1COC1 34a_100000060846_100000747449 [0,0,0,1,0,0|2,0,1]=4 2416 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [0,0,0,1,0,0|1,0,1]=3 2417 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [0,0,0,1,0,0|1,0,1]=3 2418 B11R1.236 COC(=O)CSCC1CCO1 62a_100000103362_100000747449 [0,0,0,1,0,0|2,0,1]=4 2419 B11R1.236 COC(=O)CSCC1CCO1 62a_100000747449_100000103362 [0,0,0,1,0,0|2,0,1]=4 2420 B11R1.236 COC(=O)CSCC1COC1 62a_100000747449_100010264016 [0,0,0,1,0,0|2,0,1]=4 2421 B11R1.236 COC(=O)CSCC1COC1 62a_100010264016_100000747449 [0,0,0,1,0,0|2,0,1]=4 2422 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,0,0,1,0,0|2,0,1]=4 2423 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,0,0,1,0,0|2,0,1]=4 2424 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,0,0,1,0,0|2,0,1]=4 2425 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,0,0,1,0,0|2,0,1]=4 2426 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [0,0,0,1,0,0|2,0,1]=4 2427 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [0,0,0,1,0,0|2,0,1]=4 2428 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [0,0,0,1,0,0|2,0,1]=4 2429 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [0,0,0,1,0,0|2,0,1]=4 2430 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [0,0,0,1,0,0|2,0,1]=4 2431 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [0,0,0,1,0,0|2,0,1]=4 2432 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [0,0,0,1,0,0|2,0,1]=4 2433 B11R1.237 COC(=O)/C=C/CNC1CC1 34a_100000212008_100000742655 [0,0,0,1,0,0|1,0,0]=2 2434 B11R1.237 COC(=O)/C=C/CSC1CC1 62a_100000742655_100000211595 [0,0,0,1,0,0|1,0,0]=2 2435 B11R1.237 COC(=O)C=NNCC1CC1 4a_100000736359_200011823558 [0,0,0,1,0,0|2,0,0]=3 2436 B11R1.237 COC(=O)CC=NNC1CC1 4a_100000701032_200011552997 [0,0,0,1,0,0|2,0,1]=4 2437 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [0,0,0,1,0,0|1,0,2]=4 2438 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [0,0,0,1,0,0|1,0,2]=4 2439 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [0,0,0,1,0,0|1,0,2]=4 2440 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [0,0,0,1,0,0|1,0,2]=4 2441 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [0,0,0,1,0,0|1,0,2]=4 2442 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [0,0,0,1,0,0|1,0,2]=4 2443 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [0,0,0,1,0,0|1,0,2]=4 2444 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [0,0,0,1,0,0|1,0,1]=3 2445 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,0,0,1,0,0|1,0,1]=3 2446 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,0,0,1,0,0|1,0,1]=3 2447 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [0,0,0,1,0,0|2,0,1]=4 2448 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [0,0,0,1,0,0|1,0,1]=3 2449 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [0,0,0,1,0,0|1,0,1]=3 2450 B11R1.237 COC(=O)CSCCC1CO1 62a_100000732470_100000747449 [0,0,0,1,0,0|2,0,1]=4 2451 B11R1.237 COC(=O)CSCCC1CO1 62a_100000747449_100000732470 [0,0,0,1,0,0|2,0,1]=4 2452 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [0,0,0,1,0,0|2,0,1]=4 2453 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,0,0,1,0,0|2,0,1]=4 2454 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [0,0,0,1,0,0|2,0,1]=4 2455 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,0,0,1,0,0|1,0,2]=4 2456 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,0,0,1,0,0|1,0,2]=4 2457 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,0,0,1,0,0|2,0,1]=4 2458 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,0,0,1,0,0|2,0,1]=4 2459 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,0,0,1,0,0|2,0,1]=4 2460 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,0,0,1,0,0|2,0,1]=4 2461 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,0,0,1,0,0|1,0,2]=4 2462 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,0,0,1,0,0|1,0,2]=4 2463 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,0,0,1,0,0|1,0,2]=4 2464 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,0,0,1,0,0|1,0,2]=4 2465 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,0,0,1,0,0|2,0,1]=4 2466 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,0,0,1,0,0|2,0,1]=4 2467 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [2,0,0,0,0,0|1,0,1]=4 2468 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|1,0,1]=4 2469 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|1,0,1]=4 2470 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 2471 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|1,0,1]=4 2472 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 2473 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|1,0,1]=4 2474 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|1,0,1]=4 2475 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 2476 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 2477 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 2478 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 2479 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|1,0,1]=4 2480 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 2481 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|1,0,1]=4 2482 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 2483 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|1,0,1]=4 2484 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|1,0,1]=4 2485 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|1,0,1]=4 2486 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|1,0,1]=4 2487 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|1,0,1]=4 2488 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|1,0,1]=4 2489 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [2,0,0,0,0,0|1,0,1]=4 2490 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|1,0,1]=4 2491 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|1,0,1]=4 2492 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|1,0,1]=4 2493 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 2494 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 2495 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|1,0,1]=4 2496 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|1,0,1]=4 2497 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [2,0,0,0,0,0|2,0,0]=4 2498 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [2,0,0,0,0,0|0,0,1]=3 2499 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [2,0,0,0,0,0|0,0,1]=3 2500 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [2,0,0,0,0,0|0,0,1]=3 2501 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [2,0,0,0,0,0|0,0,1]=3 2502 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|0,0,2]=4 2503 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|0,0,2]=4 2504 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|0,0,2]=4 2505 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|0,0,2]=4 2506 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|0,0,2]=4 2507 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,1]=4 2508 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|1,0,1]=4 2509 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,1]=4 2510 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,1]=4 2511 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,1]=4 2512 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,1]=4 2513 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|1,0,1]=4 2514 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|1,0,1]=4 2515 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|1,0,1]=4 2516 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,1]=4 2517 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 2518 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|1,0,1]=4 2519 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|1,0,1]=4 2520 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 2521 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 2522 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 2523 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [2,0,0,0,0,0|2,0,0]=4 2524 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|2,0,0]=4 2525 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|2,0,0]=4 2526 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [2,0,0,0,0,0|2,0,0]=4 2527 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [2,0,0,0,0,0|2,0,0]=4 2528 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|0,0,2]=4 2529 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|0,0,2]=4 2530 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|0,0,0]=2 2531 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|0,0,0]=2 2532 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,1]=3 2533 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,1]=3 2534 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,1]=3 2535 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 2536 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 2537 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 2538 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,0]=3 2539 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|1,0,1]=4 2540 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [2,0,0,0,0,0|2,0,0]=4 2541 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|1,0,1]=4 2542 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|1,0,1]=4 2543 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|1,0,1]=4 2544 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|1,0,1]=4 2545 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|1,0,1]=4 2546 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|1,0,1]=4 2547 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [2,0,0,0,0,0|2,0,0]=4 2548 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [2,0,0,0,0,0|2,0,0]=4 2549 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [2,0,0,0,0,0|2,0,0]=4 2550 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,1]=4 2551 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,1]=4 2552 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,1]=4 2553 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|2,0,0]=4 2554 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [2,0,0,0,0,0|2,0,0]=4 2555 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [2,0,0,0,0,0|2,0,0]=4 2556 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,1]=4 2557 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,1]=4 2558 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|2,0,0]=4 2559 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|2,0,0]=4 2560 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [2,0,0,0,0,0|2,0,0]=4 2561 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 2562 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 2563 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [2,0,0,0,0,0|2,0,0]=4 2564 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,1]=4 2565 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,1]=4 2566 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,1]=4 2567 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,1]=4 2568 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 2569 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 2570 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 2571 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 2572 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 2573 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|2,0,0]=4 2574 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [2,0,0,0,0,0|2,0,0]=4 2575 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [2,0,0,0,0,0|2,0,0]=4 2576 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|1,0,1]=4 2577 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|1,0,1]=4 2578 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 2579 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 2580 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 2581 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 2582 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 2583 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 2584 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|2,0,0]=4 2585 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|2,0,0]=4 2586 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,1]=4 2587 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,1]=4 2588 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 2589 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|2,0,0]=4 2590 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|2,0,0]=4 2591 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 2592 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|2,0,0]=4 2593 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 2594 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|1,0,1]=4 2595 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|1,0,1]=4 2596 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 2597 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 2598 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [2,0,0,0,0,0|2,0,0]=4 2599 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [2,0,0,0,0,0|2,0,0]=4 2600 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|2,0,0]=4 2601 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [2,0,0,0,0,0|2,0,0]=4 2602 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|1,0,1]=4 2603 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|1,0,1]=4 2604 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 2605 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 2606 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 2607 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [2,0,0,0,0,0|2,0,0]=4 2608 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|2,0,0]=4 2609 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|2,0,0]=4 2610 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [2,0,0,0,0,0|2,0,0]=4 2611 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [2,0,0,0,0,0|2,0,0]=4 2612 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 2613 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|1,0,1]=4 2614 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|1,0,1]=4 2615 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [2,0,0,0,0,0|2,0,0]=4 2616 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|2,0,0]=4 2617 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|2,0,0]=4 2618 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|2,0,0]=4 2619 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|2,0,0]=4 2620 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|2,0,0]=4 2621 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|2,0,0]=4 2622 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|1,0,0]=3 2623 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [2,0,0,0,0,0|2,0,0]=4 2624 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [2,0,0,0,0,0|1,0,0]=3 2625 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [2,0,0,0,0,0|1,0,0]=3 2626 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [2,0,0,0,0,0|1,0,0]=3 2627 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|1,0,0]=3 2628 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|1,0,0]=3 2629 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|2,0,0]=4 2630 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|2,0,0]=4 2631 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 2632 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 2633 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 2634 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 2635 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 2636 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|1,0,1]=4 2637 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 2638 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 2639 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 2640 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|2,0,0]=4 2641 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|2,0,0]=4 2642 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|2,0,0]=4 2643 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|2,0,0]=4 2644 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 2645 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 2646 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 2647 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 2648 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 2649 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 2650 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 2651 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|2,0,0]=4 2652 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|2,0,0]=4 2653 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 2654 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 2655 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 2656 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 2657 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 2658 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 2659 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|1,0,0]=3 2660 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|2,0,0]=4 2661 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|2,0,0]=4 2662 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|2,0,0]=4 2663 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 2664 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 2665 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 2666 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 2667 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 2668 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 2669 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|1,0,0]=3 2670 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|1,0,0]=3 2671 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 2672 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 2673 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 2674 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|1,0,0]=3 2675 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [2,0,0,0,0,0|2,0,0]=4 2676 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [2,0,0,0,0,0|2,0,0]=4 2677 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [2,0,0,0,0,0|2,0,0]=4 2678 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [2,0,0,0,0,0|2,0,0]=4 2679 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [2,0,0,0,0,0|2,0,0]=4 2680 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|2,0,0]=4 2681 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|2,0,0]=4 2682 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 2683 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 2684 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 2685 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 2686 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 2687 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 2688 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|1,0,0]=3 2689 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|2,0,0]=4 2690 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|2,0,0]=4 2691 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 2692 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 2693 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 2694 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 2695 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 2696 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 2697 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|1,0,0]=3 2698 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|1,0,0]=3 2699 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 2700 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [2,0,0,0,0,0|2,0,0]=4 2701 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [2,0,0,0,0,0|2,0,0]=4 2702 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [2,0,0,0,0,0|2,0,0]=4 2703 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 2704 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 2705 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 2706 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 2707 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 2708 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 2709 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 2710 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 2711 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 2712 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 2713 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 2714 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 2715 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 2716 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 2717 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 2718 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 2719 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [2,0,0,0,0,0|1,0,0]=3 2720 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [2,0,0,0,0,0|1,0,0]=3 2721 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [2,0,0,0,0,0|1,0,0]=3 2722 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 2723 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 2724 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 2725 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 2726 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 2727 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 2728 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|1,0,0]=3 2729 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 2730 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [2,0,0,0,0,0|1,0,0]=3 2731 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [2,0,0,0,0,0|1,0,0]=3 2732 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [2,0,0,0,0,0|1,0,0]=3 2733 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [2,0,0,0,0,0|1,0,0]=3 2734 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|1,0,0]=3 2735 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|1,0,0]=3 2736 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|1,0,0]=3 2737 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|1,0,0]=3 2738 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [2,0,0,0,0,0|2,0,0]=4 2739 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [2,0,0,0,0,0|2,0,0]=4 2740 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [2,0,0,0,0,0|2,0,0]=4 2741 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [2,0,0,0,0,0|2,0,0]=4 2742 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [2,0,0,0,0,0|2,0,0]=4 2743 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 2744 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [2,0,0,0,0,0|2,0,0]=4 2745 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [2,0,0,0,0,0|2,0,0]=4 2746 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [2,0,0,0,0,0|2,0,0]=4 2747 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 2748 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [2,0,0,0,0,0|2,0,0]=4 2749 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [2,0,0,0,0,0|2,0,0]=4 2750 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [2,0,0,0,0,0|2,0,0]=4 2751 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [2,0,0,0,0,0|2,0,0]=4 2752 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 2753 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [2,0,0,0,0,0|1,0,0]=3 2754 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|1,0,0]=3 2755 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [2,0,0,0,0,0|2,0,0]=4 2756 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 2757 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [2,0,0,0,0,0|2,0,0]=4 2758 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [2,0,0,0,0,0|2,0,0]=4 2759 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [1,1,0,0,0,0|1,0,1]=4 2760 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,1,0,0,0,0|1,0,1]=4 2761 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [1,1,0,0,0,0|2,0,0]=4 2762 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|0,0,2]=4 2763 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|0,0,2]=4 2764 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,1,0,0,0,0|1,0,1]=4 2765 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|1,0,1]=4 2766 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|1,0,1]=4 2767 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|1,0,1]=4 2768 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,1,0,0,0,0|1,0,1]=4 2769 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,1,0,0,0,0|1,0,1]=4 2770 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [1,1,0,0,0,0|2,0,0]=4 2771 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,1,0,0,0,0|1,0,1]=4 2772 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,1,0,0,0,0|1,0,1]=4 2773 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|0,0,0]=2 2774 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|0,0,0]=2 2775 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,1,0,0,0,0|0,0,2]=4 2776 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,1,0,0,0,0|1,0,0]=3 2777 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|0,0,0]=2 2778 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|0,0,0]=2 2779 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|0,0,2]=4 2780 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|0,0,2]=4 2781 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|0,0,2]=4 2782 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|0,0,2]=4 2783 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|0,0,2]=4 2784 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|0,0,2]=4 2785 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|0,0,2]=4 2786 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|0,0,2]=4 2787 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|0,0,2]=4 2788 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,1,0,0,0,0|1,0,1]=4 2789 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,1,0,0,0,0|1,0,1]=4 2790 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|1,0,1]=4 2791 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 2792 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,1,0,0,0,0|1,0,1]=4 2793 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 2794 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|0,0,2]=4 2795 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|0,0,2]=4 2796 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|0,0,2]=4 2797 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,1,0,0,0,0|1,0,1]=4 2798 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,1,0,0,0,0|1,0,1]=4 2799 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,1,0,0,0,0|1,0,1]=4 2800 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|0,0,2]=4 2801 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|0,0,2]=4 2802 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,1,0,0,0,0|1,0,1]=4 2803 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,1,0,0,0,0|1,0,1]=4 2804 B10R0.4 CCCCNC/C=C/B(O)O 2230a_100000102301_100016262062 [1,1,0,0,0,0|1,0,1]=4 2805 B10R0.4 CCCCNC/C=C/B(O)O 7a_106832991798_100016262062 [1,1,0,0,0,0|1,0,1]=4 2806 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,1,0,0,0,0|1,0,1]=4 2807 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,1,0,0,0,0|1,0,1]=4 2808 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|0,0,2]=4 2809 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,1,0,0,0,0|1,0,1]=4 2810 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,1,0,0,0,0|1,0,1]=4 2811 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,1,0,0,0,0|1,0,1]=4 2812 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,1,0,0,0,0|1,0,1]=4 2813 B10R0.4 CCCCNN=CC=C(C)C 4a_100025702795_100011215525 [1,1,0,0,0,0|2,0,0]=4 2814 B10R0.4 CCCCOC/C=C/B(O)O 34a_100000210227_100016262062 [1,1,0,0,0,0|1,0,1]=4 2815 B10R0.4 CCCCOC/C=C/B(O)O 7a_100000210227_100016262062 [1,1,0,0,0,0|1,0,1]=4 2816 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,1,0,0,0,0|1,0,1]=4 2817 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,1,0,0,0,0|1,0,1]=4 2818 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|0,0,2]=4 2819 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|0,0,2]=4 2820 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|0,0,2]=4 2821 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|0,0,2]=4 2822 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,1,0,0,0,0|1,0,1]=4 2823 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,1,0,0,0,0|1,0,1]=4 2824 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,1,0,0,0,0|1,0,1]=4 2825 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,1,0,0,0,0|1,0,1]=4 2826 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,1,0,0,0,0|1,0,1]=4 2827 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,1,0,0,0,0|1,0,1]=4 2828 B10R0.4 CCCCSC/C=C/B(O)O 62a_100000210211_100016262062 [1,1,0,0,0,0|1,0,1]=4 2829 B10R0.4 CCCCSC/C=C/B(O)O 62a_100016262062_100000210210 [1,1,0,0,0,0|1,0,1]=4 2830 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,1,0,0,0,0|1,0,1]=4 2831 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,1,0,0,0,0|1,0,1]=4 2832 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|0,0,2]=4 2833 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|0,0,2]=4 2834 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,1,0,0,0,0|1,0,1]=4 2835 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,1,0,0,0,0|1,0,1]=4 2836 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,1,0,0,0,0|1,0,1]=4 2837 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,1,0,0,0,0|1,0,1]=4 2838 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,1,0,0,0,0|1,0,1]=4 2839 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,1,0,0,0,0|1,0,1]=4 2840 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,1,0,0,0,0|1,0,1]=4 2841 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,1,0,0,0,0|1,0,1]=4 2842 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,1,0,0,0,0|1,0,1]=4 2843 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,1,0,0,0,0|1,0,1]=4 2844 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|0,0,2]=4 2845 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,1,0,0,0,0|1,0,1]=4 2846 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,1,0,0,0,0|1,0,1]=4 2847 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,1,0,0,0,0|1,0,1]=4 2848 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,1,0,0,0,0|1,0,1]=4 2849 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,1,0,0,0,0|1,0,1]=4 2850 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,1,0,0,0,0|1,0,1]=4 2851 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,1,0,0,0,0|1,0,1]=4 2852 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,1,0,0,0,0|1,0,1]=4 2853 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|0,0,2]=4 2854 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|0,0,2]=4 2855 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,1,0,0,0,0|1,0,1]=4 2856 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,1,0,0,0,0|1,0,1]=4 2857 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,1,0,0,0,0|1,0,1]=4 2858 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,1,0,0,0,0|1,0,1]=4 2859 B10R0.4 CCNCCC/C=C/B(O)O 2230a_100015525214_200016261450 [1,1,0,0,0,0|1,0,1]=4 2860 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,1,0,0,0,0|1,0,1]=4 2861 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,1,0,0,0,0|1,0,1]=4 2862 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,1,0,0,0,0|1,0,1]=4 2863 B10R0.4 CCOCCC/C=C/B(O)O 34a_100121572206_200016261450 [1,1,0,0,0,0|1,0,1]=4 2864 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,1,0,0,0,0|1,0,1]=4 2865 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,1,0,0,0,0|1,0,1]=4 2866 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,1,0,0,0,0|1,0,1]=4 2867 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,1,0,0,0,0|1,0,1]=4 2868 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,1,0,0,0,0|1,0,1]=4 2869 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,1,0,0,0,0|1,0,1]=4 2870 B10R0.4 CCSCCC/C=C/B(O)O 62a_100000210202_200016261450 [1,1,0,0,0,0|1,0,1]=4 2871 B10R0.4 CCSCCC/C=C/B(O)O 62a_200016261450_100000210202 [1,1,0,0,0,0|1,0,1]=4 2872 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,1,0,0,0,0|1,0,1]=4 2873 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,1,0,0,0,0|1,0,1]=4 2874 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,1,0,0,0,0|1,0,1]=4 2875 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,1,0,0,0,0|1,0,1]=4 2876 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,1,0,0,0,0|1,0,1]=4 2877 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,1,0,0,0,0|1,0,1]=4 2878 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,1,0,0,0,0|1,0,1]=4 2879 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,1,0,0,0,0|1,0,1]=4 2880 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,1,0,0,0,0|1,0,1]=4 2881 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|0,0,2]=4 2882 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,1,0,0,0,0|1,0,1]=4 2883 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,1,0,0,0,0|1,0,1]=4 2884 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,1,0,0,0,0|1,0,1]=4 2885 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,1,0,0,0,0|1,0,1]=4 2886 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|1,0,1]=4 2887 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,1,0,0,0,0|1,0,1]=4 2888 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,1,0,0,0,0|1,0,1]=4 2889 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,1,0,0,0,0|1,0,1]=4 2890 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,1,0,0,0,0|1,0,1]=4 2891 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,1,0,0,0,0|1,0,1]=4 2892 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|1,0,1]=4 2893 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|0,0,2]=4 2894 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|1,0,1]=4 2895 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [1,1,0,0,0,0|2,0,0]=4 2896 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [1,1,0,0,0,0|2,0,0]=4 2897 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [1,1,0,0,0,0|2,0,0]=4 2898 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [1,1,0,0,0,0|2,0,0]=4 2899 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [1,1,0,0,0,0|2,0,0]=4 2900 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [1,1,0,0,0,0|2,0,0]=4 2901 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,1,0,0,0,0|1,0,0]=3 2902 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [1,1,0,0,0,0|1,0,0]=3 2903 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [1,1,0,0,0,0|1,0,0]=3 2904 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [1,1,0,0,0,0|2,0,0]=4 2905 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|0,0,1]=3 2906 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,1]=4 2907 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,1]=4 2908 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|0,0,2]=4 2909 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|1,0,1]=4 2910 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|1,0,1]=4 2911 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|1,0,1]=4 2912 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|1,0,1]=4 2913 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,1,0,0,0,0|1,0,1]=4 2914 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [1,1,0,0,0,0|2,0,0]=4 2915 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [1,1,0,0,0,0|2,0,0]=4 2916 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [1,1,0,0,0,0|2,0,0]=4 2917 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [1,1,0,0,0,0|2,0,0]=4 2918 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [1,1,0,0,0,0|2,0,0]=4 2919 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [1,1,0,0,0,0|2,0,0]=4 2920 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [1,1,0,0,0,0|2,0,0]=4 2921 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [1,1,0,0,0,0|2,0,0]=4 2922 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,1]=4 2923 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|1,0,1]=4 2924 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [1,1,0,0,0,0|2,0,0]=4 2925 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [1,1,0,0,0,0|2,0,0]=4 2926 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [1,1,0,0,0,0|2,0,0]=4 2927 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [1,1,0,0,0,0|2,0,0]=4 2928 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [1,1,0,0,0,0|2,0,0]=4 2929 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [1,1,0,0,0,0|2,0,0]=4 2930 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [1,1,0,0,0,0|2,0,0]=4 2931 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [1,1,0,0,0,0|2,0,0]=4 2932 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [1,1,0,0,0,0|2,0,0]=4 2933 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [1,1,0,0,0,0|2,0,0]=4 2934 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|1,0,1]=4 2935 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [1,1,0,0,0,0|2,0,0]=4 2936 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [1,1,0,0,0,0|2,0,0]=4 2937 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|0,0,2]=4 2938 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|0,0,2]=4 2939 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|0,0,2]=4 2940 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [1,1,0,0,0,0|1,0,1]=4 2941 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [1,1,0,0,0,0|1,0,1]=4 2942 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [1,1,0,0,0,0|1,0,1]=4 2943 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [1,1,0,0,0,0|1,0,1]=4 2944 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [1,1,0,0,0,0|2,0,0]=4 2945 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [1,1,0,0,0,0|1,0,1]=4 2946 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [1,1,0,0,0,0|1,0,1]=4 2947 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,1,0,0,0,0|1,0,1]=4 2948 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,1,0,0,0,0|1,0,1]=4 2949 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [1,1,0,0,0,0|1,0,1]=4 2950 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [1,1,0,0,0,0|1,0,1]=4 2951 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [1,1,0,0,0,0|1,0,1]=4 2952 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [1,1,0,0,0,0|1,0,1]=4 2953 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [1,1,0,0,0,0|1,0,1]=4 2954 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|0,0,2]=4 2955 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|0,0,2]=4 2956 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,1,0,0,0,0|1,0,1]=4 2957 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,1,0,0,0,0|1,0,1]=4 2958 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|0,0,2]=4 2959 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|0,0,2]=4 2960 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,1,0,0,0,0|1,0,1]=4 2961 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|1,0,1]=4 2962 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|0,0,2]=4 2963 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|1,0,1]=4 2964 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,1,0,0,0,0|1,0,1]=4 2965 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|1,0,1]=4 2966 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,1,0,0,0,0|2,0,0]=4 2967 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,1,0,0,0,0|2,0,0]=4 2968 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,1,0,0,0,0|2,0,0]=4 2969 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|0,0,2]=4 2970 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,1,0,0,0,0|1,0,1]=4 2971 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,1,0,0,0,0|1,0,1]=4 2972 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,1,0,0,0,0|1,0,1]=4 2973 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,1,0,0,0,0|1,0,1]=4 2974 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,1,0,0,0,0|1,0,1]=4 2975 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,1,0,0,0,0|1,0,0]=3 2976 B10R0.71 C/C=C/C=C/COCCCF 34a_100016283227_100011934791 [1,1,0,0,0,0|2,0,0]=4 2977 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [1,1,0,0,0,0|2,0,0]=4 2978 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [1,1,0,0,0,0|2,0,0]=4 2979 B10R0.71 C/C=C/C=C/COCCSC 34a_100016283227_100000212216 [1,1,0,0,0,0|2,0,0]=4 2980 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [1,1,0,0,0,0|0,0,2]=4 2981 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [1,1,0,0,0,0|0,0,2]=4 2982 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [1,1,0,0,0,0|0,0,2]=4 2983 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [1,1,0,0,0,0|0,0,2]=4 2984 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|1,0,1]=4 2985 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|1,0,1]=4 2986 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|1,0,1]=4 2987 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|1,0,1]=4 2988 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|1,0,1]=4 2989 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|1,0,1]=4 2990 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|1,0,1]=4 2991 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 2992 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 2993 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|1,0,1]=4 2994 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|1,0,1]=4 2995 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|1,0,1]=4 2996 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|1,0,1]=4 2997 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|1,0,1]=4 2998 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|1,0,1]=4 2999 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|1,0,1]=4 3000 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|1,0,1]=4 3001 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|1,0,1]=4 3002 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|1,0,1]=4 3003 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|1,0,1]=4 3004 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|1,0,1]=4 3005 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|1,0,1]=4 3006 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|1,0,1]=4 3007 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,1,0,0,0,0|1,0,1]=4 3008 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,1,0,0,0,0|1,0,1]=4 3009 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [1,1,0,0,0,0|2,0,0]=4 3010 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,1,0,0,0,0|0,0,1]=3 3011 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,1,0,0,0,0|0,0,1]=3 3012 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [1,1,0,0,0,0|0,0,1]=3 3013 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [1,1,0,0,0,0|0,0,1]=3 3014 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,1,0,0,0,0|0,0,1]=3 3015 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,1,0,0,0,0|0,0,1]=3 3016 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,1,0,0,0,0|0,0,1]=3 3017 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,1,0,0,0,0|0,0,1]=3 3018 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|0,0,1]=3 3019 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|0,0,1]=3 3020 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|0,0,1]=3 3021 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|0,0,1]=3 3022 B10R0.91 C#CCCCC(=O)C=COC 1458a_100016268678_100000731252 [1,1,0,0,0,0|0,0,2]=4 3023 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [1,1,0,0,0,0|1,0,1]=4 3024 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|1,0,1]=4 3025 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [1,1,0,0,0,0|1,0,1]=4 3026 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [1,1,0,0,0,0|0,0,2]=4 3027 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [1,1,0,0,0,0|0,0,2]=4 3028 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|1,0,1]=4 3029 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|1,0,1]=4 3030 B10R0.91 CCC#CCC(=O)C=COC 1458a_100016268678_100009813939 [1,1,0,0,0,0|0,0,2]=4 3031 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|1,0,0]=3 3032 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [1,1,0,0,0,0|2,0,0]=4 3033 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [1,1,0,0,0,0|2,0,0]=4 3034 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [1,1,0,0,0,0|2,0,0]=4 3035 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [1,1,0,0,0,0|2,0,0]=4 3036 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [1,1,0,0,0,0|2,0,0]=4 3037 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 3038 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 3039 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 3040 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [1,1,0,0,0,0|0,0,2]=4 3041 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,1,0,0,0,0|0,0,0]=2 3042 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|0,0,2]=4 3043 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|0,0,2]=4 3044 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [1,1,0,0,0,0|1,0,0]=3 3045 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [1,1,0,0,0,0|1,0,0]=3 3046 B10R0.91 CCCNN=C(C)C=COC 4a_100000740057_100102564965 [1,1,0,0,0,0|2,0,0]=4 3047 B10R0.91 CCCNNC(=O)C=COC 22a_100000740057_100016268678 [1,1,0,0,0,0|2,0,0]=4 3048 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [1,1,0,0,0,0|1,0,0]=3 3049 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [1,1,0,0,0,0|1,0,0]=3 3050 B10R0.91 COC=CC(=O)CCCC#N 1458a_100016268678_100000211468 [1,1,0,0,0,0|1,0,1]=4 3051 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [1,1,0,0,0,0|1,0,0]=3 3052 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [1,1,0,0,0,0|1,0,0]=3 3053 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [1,1,0,0,0,0|1,0,0]=3 3054 B10R0.91 COC=CC(=O)NCCCF 1626a_100015189416_100016268678 [1,1,0,0,0,0|2,0,0]=4 3055 B10R0.91 COC=CC(=O)NCCCF 240690a_100015189416_100016268678 [1,1,0,0,0,0|2,0,0]=4 3056 B10R0.91 COC=CC(=O)NCCCO 240690a_100000182051_100016268678 [1,1,0,0,0,0|2,0,0]=4 3057 B10R0.91 COC=CC(=O)NCCOC 1626a_100000209980_100016268678 [1,1,0,0,0,0|2,0,0]=4 3058 B10R0.91 COC=CC(=O)NCCOC 240690a_100000209980_100016268678 [1,1,0,0,0,0|2,0,0]=4 3059 B10R0.91 COC=CC(=O)NCCSC 1626a_100020590264_100016268678 [1,1,0,0,0,0|2,0,0]=4 3060 B10R0.91 COC=CC(=O)NCCSC 240690a_100020590264_100016268678 [1,1,0,0,0,0|2,0,0]=4 3061 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [1,1,0,0,0,0|2,0,0]=4 3062 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|1,0,1]=4 3063 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|1,0,1]=4 3064 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|0,0,1]=3 3065 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|0,0,1]=3 3066 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 3067 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 3068 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 3069 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [1,1,0,0,0,0|2,0,0]=4 3070 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [1,1,0,0,0,0|2,0,0]=4 3071 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 3072 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 3073 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 3074 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 3075 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [1,1,0,0,0,0|2,0,0]=4 3076 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [1,1,0,0,0,0|1,0,1]=4 3077 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [1,1,0,0,0,0|1,0,1]=4 3078 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [1,1,0,0,0,0|1,0,1]=4 3079 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [1,1,0,0,0,0|1,0,1]=4 3080 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,1,0,0,0,0|1,0,1]=4 3081 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [1,1,0,0,0,0|1,0,1]=4 3082 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [1,1,0,0,0,0|1,0,1]=4 3083 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [1,1,0,0,0,0|1,0,1]=4 3084 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [1,1,0,0,0,0|1,0,1]=4 3085 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [1,1,0,0,0,0|1,0,1]=4 3086 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [1,1,0,0,0,0|1,0,1]=4 3087 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [1,1,0,0,0,0|1,0,1]=4 3088 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [1,1,0,0,0,0|2,0,0]=4 3089 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [1,1,0,0,0,0|1,0,1]=4 3090 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [1,1,0,0,0,0|1,0,1]=4 3091 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [1,1,0,0,0,0|1,0,1]=4 3092 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [1,1,0,0,0,0|1,0,1]=4 3093 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [1,1,0,0,0,0|1,0,1]=4 3094 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [1,1,0,0,0,0|1,0,1]=4 3095 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [1,1,0,0,0,0|1,0,1]=4 3096 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [1,1,0,0,0,0|1,0,1]=4 3097 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [1,1,0,0,0,0|0,0,2]=4 3098 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [1,1,0,0,0,0|0,0,2]=4 3099 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 3100 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 3101 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 3102 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 3103 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 3104 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 3105 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 3106 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 3107 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 3108 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 3109 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [1,1,0,0,0,0|1,0,1]=4 3110 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [1,1,0,0,0,0|1,0,1]=4 3111 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [1,1,0,0,0,0|1,0,1]=4 3112 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [1,1,0,0,0,0|1,0,1]=4 3113 B10R0.59 CCC(C)NN=CC(=O)OC 4a_100000718999_200011823558 [1,1,0,0,0,0|2,0,0]=4 3114 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [1,1,0,0,0,0|1,0,1]=4 3115 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [1,1,0,0,0,0|1,0,1]=4 3116 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [1,1,0,0,0,0|1,0,1]=4 3117 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [1,1,0,0,0,0|2,0,0]=4 3118 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [1,1,0,0,0,0|1,0,1]=4 3119 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [1,1,0,0,0,0|1,0,1]=4 3120 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [1,1,0,0,0,0|1,0,1]=4 3121 B10R0.59 CCN(C)C/C=C/C(=O)OC 2230a_100000225621_100000742655 [1,1,0,0,0,0|1,0,0]=3 3122 B10R0.59 CCN(C)C/C=C/C(=O)OC 269982a_100000225621_100000742655 [1,1,0,0,0,0|1,0,0]=3 3123 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [1,1,0,0,0,0|1,0,1]=4 3124 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [1,1,0,0,0,0|1,0,1]=4 3125 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [1,1,0,0,0,0|1,0,1]=4 3126 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [1,1,0,0,0,0|1,0,1]=4 3127 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [1,1,0,0,0,0|1,0,1]=4 3128 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [1,1,0,0,0,0|1,0,1]=4 3129 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [1,1,0,0,0,0|2,0,0]=4 3130 B10R0.83 C=C(CNCCF)C(=O)OC 34a_100000724931_100009813391 [1,1,0,0,0,0|2,0,0]=4 3131 B10R0.83 C=C(CNCCO)C(=O)OC 34a_100016990907_100009813391 [1,1,0,0,0,0|2,0,0]=4 3132 B10R0.83 C=C(COCCBr)C(=O)OC 34a_100000211926_100009813391 [1,1,0,0,0,0|2,0,0]=4 3133 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [1,1,0,0,0,0|1,0,0]=3 3134 B10R0.83 C=C(COCCN)C(=O)OC 34a_100000210304_100009813391 [1,1,0,0,0,0|2,0,0]=4 3135 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [1,1,0,0,0,0|1,0,0]=3 3136 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [1,1,0,0,0,0|1,0,0]=3 3137 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100009813391_100011217306 [1,1,0,0,0,0|2,0,0]=4 3138 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100011217306_100009813391 [1,1,0,0,0,0|2,0,0]=4 3139 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100000211926_100009813391 [1,1,0,0,0,0|2,0,0]=4 3140 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100009813391_100000211926 [1,1,0,0,0,0|2,0,0]=4 3141 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100000766300_100009813391 [1,1,0,0,0,0|2,0,0]=4 3142 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100009813391_100000766300 [1,1,0,0,0,0|2,0,0]=4 3143 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100009813391_100011218213 [1,1,0,0,0,0|2,0,0]=4 3144 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100011218213_100009813391 [1,1,0,0,0,0|2,0,0]=4 3145 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,1,0,0,0,0|1,0,0]=3 3146 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,1,0,0,0,0|1,0,1]=4 3147 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,1,0,0,0,0|1,0,1]=4 3148 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,1,0,0,0,0|1,0,1]=4 3149 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [1,1,0,0,0,0|1,0,1]=4 3150 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [1,1,0,0,0,0|1,0,1]=4 3151 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [1,1,0,0,0,0|1,0,1]=4 3152 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [1,1,0,0,0,0|1,0,1]=4 3153 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [1,1,0,0,0,0|2,0,0]=4 3154 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [1,1,0,0,0,0|2,0,0]=4 3155 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [1,1,0,0,0,0|2,0,0]=4 3156 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [1,1,0,0,0,0|2,0,0]=4 3157 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [1,1,0,0,0,0|2,0,0]=4 3158 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [1,1,0,0,0,0|2,0,0]=4 3159 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [1,1,0,0,0,0|2,0,0]=4 3160 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [1,1,0,0,0,0|2,0,0]=4 3161 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [1,1,0,0,0,0|2,0,0]=4 3162 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [1,1,0,0,0,0|1,0,0]=3 3163 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [1,1,0,0,0,0|1,0,0]=3 3164 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [1,1,0,0,0,0|1,0,0]=3 3165 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [1,1,0,0,0,0|1,0,0]=3 3166 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [1,1,0,0,0,0|1,0,1]=4 3167 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [1,1,0,0,0,0|1,0,1]=4 3168 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [1,1,0,0,0,0|1,0,1]=4 3169 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [1,1,0,0,0,0|1,0,1]=4 3170 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [1,1,0,0,0,0|1,0,1]=4 3171 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [1,1,0,0,0,0|1,0,1]=4 3172 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [1,1,0,0,0,0|1,0,1]=4 3173 B10R0.83 CCCNN=C(C)C(=O)OC 4a_100000740057_100000211753 [1,1,0,0,0,0|2,0,0]=4 3174 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [1,1,0,0,0,0|1,0,0]=3 3175 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [1,1,0,0,0,0|1,0,1]=4 3176 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [1,1,0,0,0,0|1,0,1]=4 3177 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [1,1,0,0,0,0|1,0,1]=4 3178 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [1,1,0,0,0,0|1,0,1]=4 3179 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [1,1,0,0,0,0|1,0,1]=4 3180 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [1,1,0,0,0,0|1,0,0]=3 3181 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [1,1,0,0,0,0|1,0,0]=3 3182 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [1,1,0,0,0,0|1,0,1]=4 3183 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [1,1,0,0,0,0|1,0,1]=4 3184 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [1,1,0,0,0,0|1,0,1]=4 3185 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [1,1,0,0,0,0|2,0,0]=4 3186 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [1,1,0,0,0,0|1,0,1]=4 3187 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [1,1,0,0,0,0|2,0,0]=4 3188 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [1,1,0,0,0,0|1,0,1]=4 3189 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [1,1,0,0,0,0|1,0,1]=4 3190 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [1,1,0,0,0,0|2,0,0]=4 3191 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [1,1,0,0,0,0|2,0,0]=4 3192 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [1,1,0,0,0,0|2,0,0]=4 3193 B10R0.83 COC(=O)C(=O)CNCCF 34a_100000724931_100011610305 [1,1,0,0,0,0|2,0,0]=4 3194 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [1,1,0,0,0,0|2,0,0]=4 3195 B10R0.83 COC(=O)C(=O)COCCBr 34a_100000211926_100011610305 [1,1,0,0,0,0|2,0,0]=4 3196 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [1,1,0,0,0,0|2,0,0]=4 3197 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011217306_100011610305 [1,1,0,0,0,0|2,0,0]=4 3198 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011610305_100011217306 [1,1,0,0,0,0|2,0,0]=4 3199 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [1,1,0,0,0,0|2,0,0]=4 3200 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [1,1,0,0,0,0|2,0,0]=4 3201 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [1,1,0,0,0,0|2,0,0]=4 3202 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [1,1,0,0,0,0|2,0,0]=4 3203 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [1,1,0,0,0,0|2,0,0]=4 3204 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [1,1,0,0,0,0|2,0,0]=4 3205 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [1,1,0,0,0,0|2,0,0]=4 3206 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [1,1,0,0,0,0|2,0,0]=4 3207 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [1,1,0,0,0,0|2,0,0]=4 3208 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [1,1,0,0,0,0|2,0,0]=4 3209 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [1,1,0,0,0,0|2,0,0]=4 3210 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [1,1,0,0,0,0|2,0,0]=4 3211 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [1,1,0,0,0,0|2,0,0]=4 3212 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [1,1,0,0,0,0|2,0,0]=4 3213 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [1,1,0,0,0,0|2,0,0]=4 3214 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [1,1,0,0,0,0|2,0,0]=4 3215 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [1,1,0,0,0,0|2,0,0]=4 3216 B10R0.83 COCSCC(=O)C(=O)OC 62a_100000766300_100011610305 [1,1,0,0,0,0|2,0,0]=4 3217 B10R0.83 COCSCC(=O)C(=O)OC 62a_100011610305_100000766300 [1,1,0,0,0,0|2,0,0]=4 3218 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [1,1,0,0,0,0|1,0,1]=4 3219 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [1,1,0,0,0,0|0,0,2]=4 3220 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [1,1,0,0,0,0|1,0,1]=4 3221 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [1,1,0,0,0,0|1,0,1]=4 3222 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [1,1,0,0,0,0|1,0,1]=4 3223 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [1,1,0,0,0,0|1,0,1]=4 3224 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [1,1,0,0,0,0|1,0,1]=4 3225 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [1,1,0,0,0,0|1,0,1]=4 3226 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [1,1,0,0,0,0|1,0,1]=4 3227 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [1,1,0,0,0,0|1,0,1]=4 3228 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [1,1,0,0,0,0|1,0,1]=4 3229 B12R0.1 C#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000184674 [0,2,0,0,0,0|1,0,1]=4 3230 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [0,2,0,0,0,0|1,0,1]=4 3231 B12R0.1 C#CCCNC/C=C/C(=O)OCC 34a_100000755551_100016267167 [0,2,0,0,0,0|0,0,2]=4 3232 B12R0.1 C#CCCOC/C=C/C(=O)OCC 34a_100011215631_100016267167 [0,2,0,0,0,0|0,0,2]=4 3233 B12R0.1 C#CCCSC/C=C/C(=O)OCC 62a_100000688953_100016267167 [0,2,0,0,0,0|0,0,2]=4 3234 B12R0.1 C#CCCSC/C=C/C(=O)OCC 62a_100016267167_100000688953 [0,2,0,0,0,0|0,0,2]=4 3235 B12R0.1 C/C=C/COC/C=C/C(=O)OCC 34a_100016270725_100016267167 [0,2,0,0,0,0|0,0,2]=4 3236 B12R0.1 C/C=C/CSC/C=C/C(=O)OCC 62a_100016267167_100102629194 [0,2,0,0,0,0|0,0,2]=4 3237 B12R0.1 C/C=C/CSC/C=C/C(=O)OCC 62a_100102629194_100016267167 [0,2,0,0,0,0|0,0,2]=4 3238 B12R0.1 C=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000210623 [0,2,0,0,0,0|1,0,1]=4 3239 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,2,0,0,0,0|1,0,1]=4 3240 B12R0.1 C=CCCNC/C=C/C(=O)OCC 2230a_100015191253_100016267167 [0,2,0,0,0,0|0,0,2]=4 3241 B12R0.1 C=CCCOC/C=C/C(=O)OCC 34a_100011205117_100016267167 [0,2,0,0,0,0|0,0,2]=4 3242 B12R0.1 C=CCCSC/C=C/C(=O)OCC 62a_100000754431_100016267167 [0,2,0,0,0,0|0,0,2]=4 3243 B12R0.1 C=CCCSC/C=C/C(=O)OCC 62a_100016267167_100000754431 [0,2,0,0,0,0|0,0,2]=4 3244 B12R0.1 CC#CCNC/C=C/C(=O)OCC 2230a_100000685387_100016267167 [0,2,0,0,0,0|0,0,2]=4 3245 B12R0.1 CC#CCNC/C=C/C(=O)OCC 34a_100000685387_100016267167 [0,2,0,0,0,0|0,0,2]=4 3246 B12R0.1 CC#CCOC/C=C/C(=O)OCC 34a_100000761923_100016267167 [0,2,0,0,0,0|0,0,2]=4 3247 B12R0.1 CC#CCSC/C=C/C(=O)OCC 62a_100000748600_100016267167 [0,2,0,0,0,0|0,0,2]=4 3248 B12R0.1 CC#CCSC/C=C/C(=O)OCC 62a_100016267167_100000748600 [0,2,0,0,0,0|0,0,2]=4 3249 B12R0.1 CC=CCSC/C=C/C(=O)OCC 62a_100000070051_100016267167 [0,2,0,0,0,0|0,0,2]=4 3250 B12R0.1 CC=CCSC/C=C/C(=O)OCC 62a_100016267167_100000070051 [0,2,0,0,0,0|0,0,2]=4 3251 B12R0.1 CCCCC/C=C/CC(=O)CC#N 1458a_100020675968_100011214920 [0,2,0,0,0,0|1,0,1]=4 3252 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,2,0,0,0,0|1,0,0]=3 3253 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,2,0,0,0,0|1,0,0]=3 3254 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|1,0,0]=3 3255 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,2,0,0,0,0|1,0,0]=3 3256 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,2,0,0,0,0|1,0,0]=3 3257 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,2,0,0,0,0|1,0,0]=3 3258 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,2,0,0,0,0|0,0,2]=4 3259 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,2,0,0,0,0|2,0,0]=4 3260 B12R0.1 CCCCCC=NNC(=O)COC 4a_100000216845_100000737632 [0,2,0,0,0,0|1,0,0]=3 3261 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [0,2,0,0,0,0|1,0,1]=4 3262 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,2,0,0,0,0|1,0,0]=3 3263 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,2,0,0,0,0|1,0,0]=3 3264 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|1,0,0]=3 3265 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|1,0,0]=3 3266 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|1,0,0]=3 3267 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,2,0,0,0,0|1,0,0]=3 3268 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|0,0,2]=4 3269 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|0,0,2]=4 3270 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|0,0,2]=4 3271 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|0,0,2]=4 3272 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|0,0,2]=4 3273 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|0,0,2]=4 3274 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|0,0,2]=4 3275 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|0,0,2]=4 3276 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|0,0,2]=4 3277 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|0,0,2]=4 3278 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|0,0,2]=4 3279 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,2,0,0,0,0|1,0,0]=3 3280 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|0,0,2]=4 3281 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|0,0,2]=4 3282 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|0,0,2]=4 3283 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|0,0,2]=4 3284 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,2,0,0,0,0|1,0,1]=4 3285 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,2,0,0,0,0|0,0,0]=2 3286 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,2,0,0,0,0|0,0,0]=2 3287 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|0,0,2]=4 3288 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|0,0,2]=4 3289 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,2,0,0,0,0|1,0,1]=4 3290 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [0,2,0,0,0,0|1,0,1]=4 3291 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,2,0,0,0,0|0,0,0]=2 3292 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,2,0,0,0,0|0,0,0]=2 3293 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|0,0,2]=4 3294 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|0,0,2]=4 3295 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|0,0,2]=4 3296 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,2,0,0,0,0|1,0,1]=4 3297 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,2,0,0,0,0|1,0,1]=4 3298 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,2,0,0,0,0|1,0,1]=4 3299 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,2,0,0,0,0|1,0,1]=4 3300 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,2,0,0,0,0|0,0,0]=2 3301 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,2,0,0,0,0|0,0,0]=2 3302 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|0,0,2]=4 3303 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|0,0,2]=4 3304 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,2,0,0,0,0|1,0,1]=4 3305 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,2,0,0,0,0|1,0,1]=4 3306 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,2,0,0,0,0|1,0,1]=4 3307 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,2,0,0,0,0|1,0,1]=4 3308 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,2,0,0,0,0|1,0,1]=4 3309 B12R0.1 CCCNN=CC=CC(=O)OCC 4a_100000740057_100016289910 [0,2,0,0,0,0|1,0,1]=4 3310 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|0,0,2]=4 3311 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,2,0,0,0,0|1,0,1]=4 3312 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,2,0,0,0,0|1,0,1]=4 3313 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,2,0,0,0,0|1,0,1]=4 3314 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,2,0,0,0,0|1,0,1]=4 3315 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,2,0,0,0,0|1,0,1]=4 3316 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,2,0,0,0,0|1,0,1]=4 3317 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,2,0,0,0,0|1,0,1]=4 3318 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,2,0,0,0,0|1,0,1]=4 3319 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,2,0,0,0,0|1,0,1]=4 3320 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,2,0,0,0,0|1,0,1]=4 3321 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,2,0,0,0,0|1,0,1]=4 3322 B12R0.1 CCCSCC=NNC(=O)OCC 62a_100000210303_100015372823 [0,2,0,0,0,0|2,0,0]=4 3323 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|0,0,2]=4 3324 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|0,0,2]=4 3325 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,2,0,0,0,0|1,0,1]=4 3326 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,2,0,0,0,0|1,0,1]=4 3327 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,2,0,0,0,0|1,0,1]=4 3328 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,2,0,0,0,0|1,0,1]=4 3329 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,2,0,0,0,0|1,0,1]=4 3330 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|0,0,2]=4 3331 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,2,0,0,0,0|1,0,1]=4 3332 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [0,2,0,0,0,0|1,0,0]=3 3333 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [0,2,0,0,0,0|1,0,0]=3 3334 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [0,2,0,0,0,0|1,0,0]=3 3335 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [0,2,0,0,0,0|1,0,0]=3 3336 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [0,2,0,0,0,0|1,0,0]=3 3337 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [0,2,0,0,0,0|1,0,0]=3 3338 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [0,2,0,0,0,0|1,0,0]=3 3339 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [0,2,0,0,0,0|1,0,0]=3 3340 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [0,2,0,0,0,0|1,0,0]=3 3341 B12R0.1 CCOC(=O)/C=C/COCCON 34a_100000700252_100016267167 [0,2,0,0,0,0|2,0,0]=4 3342 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [0,2,0,0,0,0|1,0,0]=3 3343 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [0,2,0,0,0,0|1,0,0]=3 3344 B12R0.1 CCOC(=O)/C=C/CSCCC#N 62a_100011215226_100016267167 [0,2,0,0,0,0|1,0,1]=4 3345 B12R0.1 CCOC(=O)/C=C/CSCCC#N 62a_100016267167_100011215226 [0,2,0,0,0,0|1,0,1]=4 3346 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [0,2,0,0,0,0|1,0,0]=3 3347 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [0,2,0,0,0,0|1,0,0]=3 3348 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [0,2,0,0,0,0|1,0,0]=3 3349 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [0,2,0,0,0,0|1,0,0]=3 3350 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [0,2,0,0,0,0|1,0,0]=3 3351 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [0,2,0,0,0,0|1,0,0]=3 3352 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [0,2,0,0,0,0|1,0,0]=3 3353 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [0,2,0,0,0,0|1,0,0]=3 3354 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|0,0,2]=4 3355 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|0,0,2]=4 3356 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|0,0,2]=4 3357 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|0,0,2]=4 3358 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|0,0,2]=4 3359 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|0,0,2]=4 3360 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|0,0,2]=4 3361 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|0,0,2]=4 3362 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,2,0,0,0,0|1,0,1]=4 3363 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,2,0,0,0,0|1,0,1]=4 3364 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,2,0,0,0,0|1,0,1]=4 3365 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,2,0,0,0,0|1,0,1]=4 3366 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,2,0,0,0,0|1,0,1]=4 3367 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,2,0,0,0,0|1,0,1]=4 3368 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,2,0,0,0,0|1,0,1]=4 3369 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,2,0,0,0,0|1,0,1]=4 3370 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,2,0,0,0,0|1,0,1]=4 3371 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,2,0,0,0,0|1,0,1]=4 3372 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,2,0,0,0,0|1,0,1]=4 3373 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,2,0,0,0,0|1,0,1]=4 3374 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,2,0,0,0,0|1,0,1]=4 3375 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,2,0,0,0,0|1,0,1]=4 3376 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,2,0,0,0,0|1,0,1]=4 3377 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,2,0,0,0,0|1,0,1]=4 3378 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,2,0,0,0,0|1,0,1]=4 3379 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,2,0,0,0,0|1,0,1]=4 3380 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,2,0,0,0,0|1,0,1]=4 3381 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,2,0,0,0,0|1,0,1]=4 3382 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,2,0,0,0,0|1,0,1]=4 3383 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,2,0,0,0,0|1,0,1]=4 3384 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|0,0,2]=4 3385 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|0,0,2]=4 3386 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,2,0,0,0,0|1,0,1]=4 3387 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,2,0,0,0,0|1,0,1]=4 3388 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,2,0,0,0,0|1,0,1]=4 3389 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,2,0,0,0,0|1,0,1]=4 3390 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,2,0,0,0,0|1,0,1]=4 3391 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,2,0,0,0,0|1,0,1]=4 3392 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,2,0,0,0,0|1,0,1]=4 3393 B12R0.1 CCOCCNN=CC(=O)OCC 4a_100000732670_100000742314 [0,2,0,0,0,0|2,0,0]=4 3394 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [0,2,0,0,0,0|1,0,0]=3 3395 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [0,2,0,0,0,0|1,0,0]=3 3396 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|0,0,2]=4 3397 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|1,0,1]=4 3398 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|1,0,1]=4 3399 B12R0.1 COCC(=O)NN=CCCCCO 4a_100000216845_100000031955 [0,2,0,0,0,0|2,0,0]=4 3400 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|0,0,2]=4 3401 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,2,0,0,0,0|1,0,1]=4 3402 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,2,0,0,0,0|1,0,1]=4 3403 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,2,0,0,0,0|1,0,1]=4 3404 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,2,0,0,0,0|1,0,1]=4 3405 B12R0.4 C=C(C)CC(=O)C=CCCCCC 1458a_100016263427_100000748629 [0,2,0,0,0,0|1,0,0]=3 3406 B12R0.4 C=C(F)CC(=O)C=CCCCCC 1458a_100016263427_100009893438 [0,2,0,0,0,0|1,0,1]=4 3407 B12R0.4 CCCCCC=CC(=O)CC(=O)N 1458a_100016263427_100000187820 [0,2,0,0,0,0|1,0,1]=4 3408 B12R0.4 CCCCCC=CC(=O)CC(=O)[O-] 1458a_100016263427_100020667443 [0,2,0,0,0,0|1,0,1]=4 3409 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,2,0,0,0,0|1,0,0]=3 3410 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,2,0,0,0,0|1,0,0]=3 3411 B12R0.4 CCCCCC=CC(=O)CC(F)F 1458a_100016263427_100011934356 [0,2,0,0,0,0|1,0,0]=3 3412 B12R0.4 CCCCCC=CC(=O)C[N+](=O)[O-] 1458a_100016263427_100000761209 [0,2,0,0,0,0|2,0,0]=4 3413 B12R0.4 CCCCCC=CC(=O)NC(C)C 11a_100138425928_100016263427 [0,2,0,0,0,0|1,0,0]=3 3414 B12R0.4 CCCCCC=CC(=O)NC(C)C 1626a_100138425928_100016263427 [0,2,0,0,0,0|1,0,0]=3 3415 B12R0.4 CCCCCC=CC(=O)NC(C)C 240690a_100138425928_100016263427 [0,2,0,0,0,0|1,0,0]=3 3416 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [0,2,0,0,0,0|1,0,1]=4 3417 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,2,0,0,0,0|1,0,1]=4 3418 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,2,0,0,0,0|1,0,1]=4 3419 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [0,2,0,0,0,0|1,0,1]=4 3420 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [0,2,0,0,0,0|1,0,1]=4 3421 B12R0.49 C#CC(C)C(=O)C=CCCCCC 1458a_100016263427_200000035995 [0,2,0,0,0,0|1,0,0]=3 3422 B12R0.49 C#CCCCCNC(=O)C(=O)OC 11a_100000706060_100000024059 [0,2,0,0,0,0|1,0,1]=4 3423 B12R0.49 C#CCCCCNC(=O)C(=O)OC 1626a_100000706060_100000024059 [0,2,0,0,0,0|1,0,1]=4 3424 B12R0.49 C#CCCCCNC(=O)C(=O)OC 240690a_100000706060_100000024059 [0,2,0,0,0,0|1,0,1]=4 3425 B12R0.49 C#CCCCCNC(=O)C(=O)OC 527a_100000706060_100000024059 [0,2,0,0,0,0|1,0,1]=4 3426 B12R0.49 C=C(CNCCCCO)C(=O)OC 34a_100000750430_100009813391 [0,2,0,0,0,0|1,0,1]=4 3427 B12R0.49 C=C(CNCCCOC)C(=O)OC 34a_100150723488_100009813391 [0,2,0,0,0,0|1,0,1]=4 3428 B12R0.49 C=C(CNCCOCC)C(=O)OC 34a_102516460346_100009813391 [0,2,0,0,0,0|1,0,1]=4 3429 B12R0.49 C=C(COCCCCBr)C(=O)OC 34a_100011216708_100009813391 [0,2,0,0,0,0|1,0,1]=4 3430 B12R0.49 C=C(COCCCCC)C(=O)OC 34a_100000210253_100009813391 [0,2,0,0,0,0|0,0,1]=3 3431 B12R0.49 C=C(COCCCCCl)C(=O)OC 34a_100000210776_100009813391 [0,2,0,0,0,0|1,0,1]=4 3432 B12R0.49 C=C(COCCCCF)C(=O)OC 34a_100011995726_100009813391 [0,2,0,0,0,0|1,0,1]=4 3433 B12R0.49 C=C(COCCCCI)C(=O)OC 34a_200012148704_100009813391 [0,2,0,0,0,0|1,0,1]=4 3434 B12R0.49 C=C(COCCCCN)C(=O)OC 34a_100000750430_100009813391 [0,2,0,0,0,0|1,0,1]=4 3435 B12R0.49 C=C(COCCCNC)C(=O)OC 34a_100000213112_100009813391 [0,2,0,0,0,0|1,0,1]=4 3436 B12R0.49 C=C(COCCCOC)C(=O)OC 34a_100000740835_100009813391 [0,2,0,0,0,0|1,0,1]=4 3437 B12R0.49 C=C(COCCCSC)C(=O)OC 34a_100000690336_100009813391 [0,2,0,0,0,0|1,0,1]=4 3438 B12R0.49 C=C(COCCOCC)C(=O)OC 34a_100000210136_100009813391 [0,2,0,0,0,0|1,0,1]=4 3439 B12R0.49 C=C(COCCSCC)C(=O)OC 34a_100000212035_100009813391 [0,2,0,0,0,0|1,0,1]=4 3440 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100000210326_100009813391 [0,2,0,0,0,0|0,0,1]=3 3441 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100009813391_100000210326 [0,2,0,0,0,0|0,0,1]=3 3442 B12R0.49 C=C(CSCCCCF)C(=O)OC 62a_100000729493_100009813391 [0,2,0,0,0,0|1,0,1]=4 3443 B12R0.49 C=C(CSCCCCF)C(=O)OC 62a_100009813391_100000729493 [0,2,0,0,0,0|1,0,1]=4 3444 B12R0.49 C=C(CSCCCCO)C(=O)OC 62a_100000210776_100009813391 [0,2,0,0,0,0|1,0,1]=4 3445 B12R0.49 C=C(CSCCCCO)C(=O)OC 62a_100009813391_100000210776 [0,2,0,0,0,0|1,0,1]=4 3446 B12R0.49 C=C(CSCCCOC)C(=O)OC 62a_100000709357_100009813391 [0,2,0,0,0,0|1,0,1]=4 3447 B12R0.49 C=C(CSCCCOC)C(=O)OC 62a_100009813391_100000709357 [0,2,0,0,0,0|1,0,1]=4 3448 B12R0.49 C=C(CSCCOCC)C(=O)OC 62a_100000210147_100009813391 [0,2,0,0,0,0|1,0,1]=4 3449 B12R0.49 C=C(CSCCOCC)C(=O)OC 62a_100009813391_100011215890 [0,2,0,0,0,0|1,0,1]=4 3450 B12R0.49 C=C(CSCCSCC)C(=O)OC 62a_100000757381_100009813391 [0,2,0,0,0,0|1,0,1]=4 3451 B12R0.49 C=C(CSCCSCC)C(=O)OC 62a_100009813391_100000757381 [0,2,0,0,0,0|1,0,1]=4 3452 B12R0.49 C=CCCCCNC(=O)C(=O)OC 11a_100000703577_100000024059 [0,2,0,0,0,0|1,0,1]=4 3453 B12R0.49 C=CCCCCNC(=O)C(=O)OC 1626a_100000703577_100000024059 [0,2,0,0,0,0|1,0,1]=4 3454 B12R0.49 C=CCCCCNC(=O)C(=O)OC 240690a_100000703577_100000024059 [0,2,0,0,0,0|1,0,1]=4 3455 B12R0.49 C=CCCCCNC(=O)C(=O)OC 527a_100000703577_100000024059 [0,2,0,0,0,0|1,0,1]=4 3456 B12R0.49 CCCCCC=CC(=O)C(C)C#N 1458a_100016263427_100000703298 [0,2,0,0,0,0|1,0,0]=3 3457 B12R0.49 CCCCCC=CC(=O)C(C)CC 1458a_100016263427_100000758301 [0,2,0,0,0,0|1,0,0]=3 3458 B12R0.49 CCCCCC=CC(=O)N(C)CC 11a_100000225621_100016263427 [0,2,0,0,0,0|1,0,0]=3 3459 B12R0.49 CCCCCC=CC(=O)N(C)CC 1626a_100000225621_100016263427 [0,2,0,0,0,0|1,0,0]=3 3460 B12R0.49 CCCCCC=CC(=O)N(C)CC 240690a_100000225621_100016263427 [0,2,0,0,0,0|1,0,0]=3 3461 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,2,0,0,0,0|1,0,1]=4 3462 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,2,0,0,0,0|0,0,2]=4 3463 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 3464 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 3465 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 3466 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,2,0,0,0,0|0,0,1]=3 3467 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,2,0,0,0,0|0,0,1]=3 3468 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,2,0,0,0,0|0,0,1]=3 3469 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,2,0,0,0,0|0,0,1]=3 3470 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,2,0,0,0,0|1,0,1]=4 3471 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,2,0,0,0,0|1,0,1]=4 3472 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,2,0,0,0,0|1,0,1]=4 3473 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,2,0,0,0,0|1,0,1]=4 3474 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,2,0,0,0,0|0,0,2]=4 3475 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,2,0,0,0,0|0,0,2]=4 3476 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,2,0,0,0,0|0,0,2]=4 3477 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,2,0,0,0,0|0,0,2]=4 3478 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,2,0,0,0,0|0,0,2]=4 3479 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,2,0,0,0,0|0,0,2]=4 3480 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100000209983_100000764215 [0,2,0,0,0,0|1,0,1]=4 3481 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210326 [0,2,0,0,0,0|1,0,1]=4 3482 B12R0.49 CCCCCNN=C(C)C(=O)OC 4a_100000694160_100000211753 [0,2,0,0,0,0|1,0,0]=3 3483 B12R0.49 CCCCCNNC(=O)C(=O)NC 22a_100000694160_100011218921 [0,2,0,0,0,0|2,0,0]=4 3484 B12R0.49 CCCCCNNC(=O)C(C)OC 22a_100000694160_100000743197 [0,2,0,0,0,0|2,0,0]=4 3485 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|0,0,1]=3 3486 B12R0.49 CCCCCOCC(=O)N(C)OC 7a_100000210253_100000764215 [0,2,0,0,0,0|1,0,1]=4 3487 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,2,0,0,0,0|0,0,2]=4 3488 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,2,0,0,0,0|0,0,2]=4 3489 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,2,0,0,0,0|0,0,2]=4 3490 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,2,0,0,0,0|0,0,2]=4 3491 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,2,0,0,0,0|0,0,2]=4 3492 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,2,0,0,0,0|0,0,1]=3 3493 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,2,0,0,0,0|0,0,1]=3 3494 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000210326_100000764215 [0,2,0,0,0,0|1,0,1]=4 3495 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000764215_100000210326 [0,2,0,0,0,0|1,0,1]=4 3496 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,2,0,0,0,0|0,0,2]=4 3497 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,2,0,0,0,0|0,0,2]=4 3498 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,2,0,0,0,0|0,0,2]=4 3499 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,2,0,0,0,0|0,0,2]=4 3500 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,2,0,0,0,0|1,0,1]=4 3501 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,2,0,0,0,0|0,0,2]=4 3502 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,2,0,0,0,0|0,0,2]=4 3503 B12R0.49 CCCCOCOC(C)C(=O)OC 34a_100011215400_100011995733 [0,2,0,0,0,0|1,0,1]=4 3504 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100000211248_100011995733 [0,2,0,0,0,0|1,0,1]=4 3505 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100011995733_100000211248 [0,2,0,0,0,0|1,0,1]=4 3506 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,2,0,0,0,0|0,0,2]=4 3507 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,2,0,0,0,0|0,0,2]=4 3508 B12R0.49 CCCOCCNC(=O)C(=O)NC 1626a_100161115042_100011218921 [0,2,0,0,0,0|2,0,0]=4 3509 B12R0.49 CCCOCCNC(=O)C(=O)NC 240690a_100161115042_100011218921 [0,2,0,0,0,0|2,0,0]=4 3510 B12R0.49 CCCOCCNC(=O)C(=O)NC 527a_100161115042_100011218921 [0,2,0,0,0,0|2,0,0]=4 3511 B12R0.49 CCCOCCNC(=O)C(=O)OC 1626a_100161115042_100000024059 [0,2,0,0,0,0|1,0,0]=3 3512 B12R0.49 CCCOCCNC(=O)C(=O)OC 240690a_100161115042_100000024059 [0,2,0,0,0,0|1,0,0]=3 3513 B12R0.49 CCCOCCNC(=O)C(=O)OC 527a_100161115042_100000024059 [0,2,0,0,0,0|1,0,0]=3 3514 B12R0.49 CCCOCCNC(C)C(=O)OC 2230a_100161115042_100000211248 [0,2,0,0,0,0|1,0,1]=4 3515 B12R0.49 CCCOCCNC(C)C(=O)OC 34a_100161115042_100000211248 [0,2,0,0,0,0|1,0,1]=4 3516 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100000752267_100000211248 [0,2,0,0,0,0|1,0,1]=4 3517 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100011215400_100011215938 [0,2,0,0,0,0|1,0,1]=4 3518 B12R0.49 CCCOCCOC(C)C(=O)OC 7a_100000752267_100000211248 [0,2,0,0,0,0|1,0,1]=4 3519 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100000211248_100011215938 [0,2,0,0,0,0|1,0,1]=4 3520 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100011215938_100000211248 [0,2,0,0,0,0|1,0,1]=4 3521 B12R0.49 CCCSCCNC(=O)C(=O)NC 240690a_100020603323_100011218921 [0,2,0,0,0,0|2,0,0]=4 3522 B12R0.49 CCCSCCNC(=O)C(=O)NC 527a_100020603323_100011218921 [0,2,0,0,0,0|2,0,0]=4 3523 B12R0.49 CCCSCCNC(=O)C(=O)OC 11a_100020603323_100000024059 [0,2,0,0,0,0|1,0,0]=3 3524 B12R0.49 CCCSCCNC(=O)C(=O)OC 240690a_100020603323_100000024059 [0,2,0,0,0,0|1,0,0]=3 3525 B12R0.49 CCCSCCNC(=O)C(=O)OC 527a_100020603323_100000024059 [0,2,0,0,0,0|1,0,0]=3 3526 B12R0.49 CCCSCCNC(C)C(=O)OC 2230a_100020603323_100000211248 [0,2,0,0,0,0|1,0,1]=4 3527 B12R0.49 CCCSCCOC(C)C(=O)OC 34a_200000230433_100000211248 [0,2,0,0,0,0|1,0,1]=4 3528 B12R0.49 CCCSCCOC(C)C(=O)OC 7a_200000230433_100000211248 [0,2,0,0,0,0|1,0,1]=4 3529 B12R0.49 CCOCCCNC(=O)C(=O)NC 1626a_100000210961_100011218921 [0,2,0,0,0,0|2,0,0]=4 3530 B12R0.49 CCOCCCNC(=O)C(=O)NC 240690a_100000210961_100011218921 [0,2,0,0,0,0|2,0,0]=4 3531 B12R0.49 CCOCCCNC(=O)C(=O)NC 527a_100000210961_100011218921 [0,2,0,0,0,0|2,0,0]=4 3532 B12R0.49 CCOCCCNC(=O)C(=O)OC 11a_100000210961_100000024059 [0,2,0,0,0,0|1,0,0]=3 3533 B12R0.49 CCOCCCNC(=O)C(=O)OC 1626a_100000210961_100000024059 [0,2,0,0,0,0|1,0,0]=3 3534 B12R0.49 CCOCCCNC(=O)C(=O)OC 240690a_100000210961_100000024059 [0,2,0,0,0,0|1,0,0]=3 3535 B12R0.49 CCOCCCNC(=O)C(=O)OC 527a_100000210961_100000024059 [0,2,0,0,0,0|1,0,0]=3 3536 B12R0.49 CCOCCCNC(C)C(=O)OC 2230a_100000210961_100000211248 [0,2,0,0,0,0|1,0,1]=4 3537 B12R0.49 CCOCCCNC(C)C(=O)OC 34a_100000210961_100000211248 [0,2,0,0,0,0|1,0,1]=4 3538 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100000757476_100000211248 [0,2,0,0,0,0|1,0,1]=4 3539 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100011215400_100012232248 [0,2,0,0,0,0|1,0,1]=4 3540 B12R0.49 CCOCCCOC(C)C(=O)OC 7a_100000757476_100000211248 [0,2,0,0,0,0|1,0,1]=4 3541 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100000211248_100012232248 [0,2,0,0,0,0|1,0,1]=4 3542 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100012232248_100000211248 [0,2,0,0,0,0|1,0,1]=4 3543 B12R0.49 CCOCCNCC(=O)C(=O)OC 34a_102516460346_100011610305 [0,2,0,0,0,0|1,0,1]=4 3544 B12R0.49 CCOCCNN=C(C)C(=O)OC 4a_100000732670_100000211753 [0,2,0,0,0,0|2,0,0]=4 3545 B12R0.49 CCOCCOCC(=O)C(=O)OC 34a_100000210136_100011610305 [0,2,0,0,0,0|1,0,1]=4 3546 B12R0.49 CCOCCSCC(=O)C(=O)OC 62a_100000210147_100011610305 [0,2,0,0,0,0|1,0,1]=4 3547 B12R0.49 CCOCCSCC(=O)C(=O)OC 62a_100011610305_100011215890 [0,2,0,0,0,0|1,0,1]=4 3548 B12R0.49 CCSCCCOC(C)C(=O)OC 34a_100011216438_100000211248 [0,2,0,0,0,0|1,0,1]=4 3549 B12R0.49 CCSCCCOC(C)C(=O)OC 7a_100011216438_100000211248 [0,2,0,0,0,0|1,0,1]=4 3550 B12R0.49 CCSCCOCC(=O)C(=O)OC 34a_100000212035_100011610305 [0,2,0,0,0,0|1,0,1]=4 3551 B12R0.49 CCSCCSCC(=O)C(=O)OC 62a_100000757381_100011610305 [0,2,0,0,0,0|1,0,1]=4 3552 B12R0.49 CCSCCSCC(=O)C(=O)OC 62a_100011610305_100000757381 [0,2,0,0,0,0|1,0,1]=4 3553 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,2,0,0,0,0|1,0,1]=4 3554 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,2,0,0,0,0|1,0,1]=4 3555 B12R0.49 CNC(=O)C(=O)NCCCCCO 240690a_100000762737_100011218921 [0,2,0,0,0,0|2,0,0]=4 3556 B12R0.49 CNCCCOCC(=O)C(=O)OC 34a_100000213112_100011610305 [0,2,0,0,0,0|1,0,1]=4 3557 B12R0.49 COC(=O)C(=O)CNCCCCO 34a_100000750430_100011610305 [0,2,0,0,0,0|1,0,1]=4 3558 B12R0.49 COC(=O)C(=O)COCCCCBr 34a_100011216708_100011610305 [0,2,0,0,0,0|1,0,1]=4 3559 B12R0.49 COC(=O)C(=O)COCCCCCl 34a_100000210776_100011610305 [0,2,0,0,0,0|1,0,1]=4 3560 B12R0.49 COC(=O)C(=O)COCCCCF 34a_100011995726_100011610305 [0,2,0,0,0,0|1,0,1]=4 3561 B12R0.49 COC(=O)C(=O)COCCCCI 34a_200012148704_100011610305 [0,2,0,0,0,0|1,0,1]=4 3562 B12R0.49 COC(=O)C(=O)COCCCCN 34a_100000750430_100011610305 [0,2,0,0,0,0|1,0,1]=4 3563 B12R0.49 COC(=O)C(=O)COCCCSC 34a_100000690336_100011610305 [0,2,0,0,0,0|1,0,1]=4 3564 B12R0.49 COC(=O)C(=O)CSCCCCF 62a_100000729493_100011610305 [0,2,0,0,0,0|1,0,1]=4 3565 B12R0.49 COC(=O)C(=O)CSCCCCF 62a_100011610305_100000729493 [0,2,0,0,0,0|1,0,1]=4 3566 B12R0.49 COC(=O)C(=O)CSCCCCO 62a_100000210776_100011610305 [0,2,0,0,0,0|1,0,1]=4 3567 B12R0.49 COC(=O)C(=O)CSCCCCO 62a_100011610305_100000210776 [0,2,0,0,0,0|1,0,1]=4 3568 B12R0.49 COC(=O)C(=O)NCCCCC#N 11a_100000751965_100000024059 [0,2,0,0,0,0|1,0,1]=4 3569 B12R0.49 COC(=O)C(=O)NCCCCC#N 1626a_100000751965_100000024059 [0,2,0,0,0,0|1,0,1]=4 3570 B12R0.49 COC(=O)C(=O)NCCCCC#N 240690a_100000751965_100000024059 [0,2,0,0,0,0|1,0,1]=4 3571 B12R0.49 COC(=O)C(=O)NCCCCC#N 527a_100000751965_100000024059 [0,2,0,0,0,0|1,0,1]=4 3572 B12R0.49 COC(=O)C(=O)NCCCCCO 240690a_100000762737_100000024059 [0,2,0,0,0,0|1,0,0]=3 3573 B12R0.49 COC(=O)C(=O)NCCOCCO 240690a_100000211614_100000024059 [0,2,0,0,0,0|2,0,0]=4 3574 B12R0.49 COC(=O)C(=O)NCCSCCO 240690a_100011219999_100000024059 [0,2,0,0,0,0|2,0,0]=4 3575 B12R0.49 COC(=O)C(=O)NCCSCCO 527a_100011219999_100000024059 [0,2,0,0,0,0|2,0,0]=4 3576 B12R0.49 COC(=O)C(C)NCCCCCO 2230a_100000762737_100000211248 [0,2,0,0,0,0|1,0,1]=4 3577 B12R0.49 COC(=O)C(C)NCCCCCO 34a_100000762737_100000211248 [0,2,0,0,0,0|1,0,1]=4 3578 B12R0.49 COC(=O)C(C)OCCCCCBr 34a_100000746331_100000211248 [0,2,0,0,0,0|1,0,1]=4 3579 B12R0.49 COC(=O)C(C)OCCCCCBr 7a_100000746331_100000211248 [0,2,0,0,0,0|1,0,1]=4 3580 B12R0.49 COC(=O)C(C)OCCCCCCl 34a_100000746330_100000211248 [0,2,0,0,0,0|1,0,1]=4 3581 B12R0.49 COC(=O)C(C)OCCCCCCl 7a_100000746330_100000211248 [0,2,0,0,0,0|1,0,1]=4 3582 B12R0.49 COC(=O)C(C)OCCCCCF 34a_100011215400_100000729378 [0,2,0,0,0,0|1,0,1]=4 3583 B12R0.49 COC(=O)C(C)OCCCCCI 34a_200012148887_100000211248 [0,2,0,0,0,0|1,0,1]=4 3584 B12R0.49 COC(=O)C(C)OCCCCCI 7a_200012148887_100000211248 [0,2,0,0,0,0|1,0,1]=4 3585 B12R0.49 COC(=O)C(C)OCCCCCN 34a_100000762737_100000211248 [0,2,0,0,0,0|1,0,1]=4 3586 B12R0.49 COC(=O)C(C)OCCCCCO 34a_100011215400_100000746330 [0,2,0,0,0,0|1,0,1]=4 3587 B12R0.49 COC(=O)C(C)OCCCCSC 34a_100011217163_100000211248 [0,2,0,0,0,0|1,0,1]=4 3588 B12R0.49 COC(=O)C(C)OCCCCSC 7a_100011217163_100000211248 [0,2,0,0,0,0|1,0,1]=4 3589 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000211248_100000729378 [0,2,0,0,0,0|1,0,1]=4 3590 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000729378_100000211248 [0,2,0,0,0,0|1,0,1]=4 3591 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000211248_100000746330 [0,2,0,0,0,0|1,0,1]=4 3592 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000746330_100000211248 [0,2,0,0,0,0|1,0,1]=4 3593 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100000740925_100000211248 [0,2,0,0,0,0|1,0,1]=4 3594 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100011215400_100000755781 [0,2,0,0,0,0|1,0,1]=4 3595 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000211248_100000730899 [0,2,0,0,0,0|1,0,1]=4 3596 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000730899_100000211248 [0,2,0,0,0,0|1,0,1]=4 3597 B12R0.49 COCCCNCC(=O)C(=O)OC 34a_100150723488_100011610305 [0,2,0,0,0,0|1,0,1]=4 3598 B12R0.49 COCCCOCC(=O)C(=O)OC 34a_100000740835_100011610305 [0,2,0,0,0,0|1,0,1]=4 3599 B12R0.49 COCCCSCC(=O)C(=O)OC 62a_100000709357_100011610305 [0,2,0,0,0,0|1,0,1]=4 3600 B12R0.49 COCCCSCC(=O)C(=O)OC 62a_100011610305_100000709357 [0,2,0,0,0,0|1,0,1]=4 3601 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [0,2,0,0,0,0|0,0,1]=3 3602 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,2,0,0,0,0|1,0,1]=4 3603 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,2,0,0,0,0|1,0,1]=4 3604 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,2,0,0,0,0|1,0,1]=4 3605 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,2,0,0,0,0|1,0,1]=4 3606 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,2,0,0,0,0|1,0,1]=4 3607 B12R0.101 CCCNC(=O)C=CC(=O)OCC 1626a_100020643023_100000210415 [0,2,0,0,0,0|1,0,1]=4 3608 B12R0.101 CCCNC(=O)C=CC(=O)OCC 240690a_100020643023_100000210415 [0,2,0,0,0,0|1,0,1]=4 3609 B12R0.101 CCOC(=O)C=CC(=O)CCCF 1458a_100000210415_100011934791 [0,2,0,0,0,0|1,0,1]=4 3610 B12R0.101 CCOC(=O)C=CC(=O)CCCO 1458a_100000210415_100011215043 [0,2,0,0,0,0|1,0,1]=4 3611 B12R0.101 CCOC(=O)C=CC(=O)CCOC 1458a_100000210415_100000233755 [0,2,0,0,0,0|1,0,1]=4 3612 B12R0.101 CCOC(=O)C=CC(=O)CCSC 1458a_100000210415_100000751147 [0,2,0,0,0,0|1,0,1]=4 3613 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [0,2,0,0,0,0|1,0,1]=4 3614 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [0,2,0,0,0,0|1,0,1]=4 3615 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [0,2,0,0,0,0|1,0,1]=4 3616 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [0,2,0,0,0,0|1,0,1]=4 3617 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [0,2,0,0,0,0|1,0,1]=4 3618 B12R0.114 CCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210757 [0,2,0,0,0,0|1,0,1]=4 3619 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,2,0,0,0,0|1,0,1]=4 3620 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,2,0,0,0,0|0,0,2]=4 3621 B12R0.114 CCCCCCN(C)C(=O)COC 11a_106256046315_100000210968 [0,2,0,0,0,0|1,0,1]=4 3622 B12R0.114 CCCCCCN(C)C(=O)COC 1626a_106256046315_100000210968 [0,2,0,0,0,0|1,0,1]=4 3623 B12R0.114 CCCCCCN(C)C(=O)COC 240690a_106256046315_100000210968 [0,2,0,0,0,0|1,0,1]=4 3624 B12R0.114 CCCCCCN(C)C(=O)COC 527a_106256046315_100000210968 [0,2,0,0,0,0|1,0,1]=4 3625 B12R0.114 CCCCCNC(=O)/C(=N/OC)/C 11a_100000209983_100160996864 [0,2,0,0,0,0|2,0,0]=4 3626 B12R0.114 CCCCCNC(=O)/C(=N/OC)/C 240690a_100000209983_100160996864 [0,2,0,0,0,0|2,0,0]=4 3627 B12R0.114 CCCCCNC(=O)C(=O)NCC 1626a_100000209983_200011297158 [0,2,0,0,0,0|2,0,0]=4 3628 B12R0.114 CCCCCNC(=O)C(=O)NCC 240690a_100000209983_200011297158 [0,2,0,0,0,0|2,0,0]=4 3629 B12R0.114 CCCCCNC(=O)C(=O)NCC 527a_100000209983_200011297158 [0,2,0,0,0,0|2,0,0]=4 3630 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [0,2,0,0,0,0|1,0,0]=3 3631 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [0,2,0,0,0,0|1,0,0]=3 3632 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [0,2,0,0,0,0|1,0,0]=3 3633 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [0,2,0,0,0,0|1,0,1]=4 3634 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [0,2,0,0,0,0|1,0,1]=4 3635 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [0,2,0,0,0,0|1,0,1]=4 3636 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [0,2,0,0,0,0|1,0,1]=4 3637 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [0,2,0,0,0,0|1,0,1]=4 3638 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [0,2,0,0,0,0|1,0,1]=4 3639 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [0,2,0,0,0,0|1,0,1]=4 3640 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [0,2,0,0,0,0|1,0,1]=4 3641 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [0,2,0,0,0,0|1,0,1]=4 3642 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [0,2,0,0,0,0|1,0,1]=4 3643 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [0,2,0,0,0,0|1,0,1]=4 3644 B12R0.114 CCCCNN=C(C)C(=O)OCC 4a_100025702795_100000209952 [0,2,0,0,0,0|2,0,0]=4 3645 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [0,2,0,0,0,0|1,0,1]=4 3646 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [0,2,0,0,0,0|1,0,1]=4 3647 B12R0.114 CCOC(=O)C(=O)NCCCCO 240690a_100000750430_100014798877 [0,2,0,0,0,0|2,0,0]=4 3648 B12R0.114 CCOC(=O)C(=O)NCCCOC 1626a_100150723488_100014798877 [0,2,0,0,0,0|2,0,0]=4 3649 B12R0.114 CCOC(=O)C(=O)NCCCOC 240690a_100150723488_100014798877 [0,2,0,0,0,0|2,0,0]=4 3650 B12R0.114 CCOC(=O)C(=O)NCCCSC 11a_100000749238_100014798877 [0,2,0,0,0,0|2,0,0]=4 3651 B12R0.114 CCOC(=O)C(=O)NCCCSC 1626a_100000749238_100014798877 [0,2,0,0,0,0|2,0,0]=4 3652 B12R0.114 CCOC(=O)C(=O)NCCCSC 240690a_100000749238_100014798877 [0,2,0,0,0,0|2,0,0]=4 3653 B12R0.114 CCOC(=O)C(=O)NCCSCC 11a_100000106463_100014798877 [0,2,0,0,0,0|2,0,0]=4 3654 B12R0.114 CCOC(=O)C(=O)NCCSCC 1626a_100000106463_100014798877 [0,2,0,0,0,0|2,0,0]=4 3655 B12R0.114 CCOC(=O)C(=O)NCCSCC 240690a_100000106463_100014798877 [0,2,0,0,0,0|2,0,0]=4 3656 B12R0.114 CCOCCNC(=O)C(=O)OCC 11a_100011200944_100014798877 [0,2,0,0,0,0|2,0,0]=4 3657 B12R0.114 CCOCCNC(=O)C(=O)OCC 1626a_102516460346_100014798877 [0,2,0,0,0,0|2,0,0]=4 3658 B12R0.114 CCOCCNC(=O)C(=O)OCC 240690a_100011200944_100014798877 [0,2,0,0,0,0|2,0,0]=4 3659 B12R0.206 C#CCCC(=O)C=CCCCCC 1458a_100016263427_100000753159 [0,2,0,0,0,0|1,0,0]=3 3660 B12R0.206 C#CCNC(=O)C=CCCCCC 11a_100000212058_100016263427 [0,2,0,0,0,0|1,0,0]=3 3661 B12R0.206 C#CCNC(=O)C=CCCCCC 1626a_100000212058_100016263427 [0,2,0,0,0,0|1,0,0]=3 3662 B12R0.206 C#CCNC(=O)C=CCCCCC 240690a_100000212058_100016263427 [0,2,0,0,0,0|1,0,0]=3 3663 B12R0.206 C/C=C/CC(=O)C=CCCCCC 1458a_100016263427_100102629194 [0,2,0,0,0,0|1,0,0]=3 3664 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,2,0,0,0,0|1,0,0]=3 3665 B12R0.206 C=CCNC(=O)C=CCCCCC 1626a_100020586998_100016263427 [0,2,0,0,0,0|1,0,0]=3 3666 B12R0.206 C=CCNC(=O)C=CCCCCC 240690a_100020586998_100016263427 [0,2,0,0,0,0|1,0,0]=3 3667 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,2,0,0,0,0|1,0,1]=4 3668 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,2,0,0,0,0|1,0,1]=4 3669 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,2,0,0,0,0|1,0,1]=4 3670 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,2,0,0,0,0|1,0,1]=4 3671 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,2,0,0,0,0|1,0,1]=4 3672 B12R0.206 CC#CCC(=O)C=CCCCCC 1458a_100016263427_100000748600 [0,2,0,0,0,0|1,0,0]=3 3673 B12R0.206 CC=CCC(=O)C=CCCCCC 1458a_100016263427_100000070051 [0,2,0,0,0,0|1,0,0]=3 3674 B12R0.206 CCC/C=C/C=CC(=O)CCOC 1458a_200016258893_100000233755 [0,2,0,0,0,0|0,0,2]=4 3675 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,2,0,0,0,0|0,0,2]=4 3676 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,2,0,0,0,0|0,0,2]=4 3677 B12R0.206 CCCCCC=CC(=NNCC)C 4a_100000756455_100016257799 [0,2,0,0,0,0|2,0,0]=4 3678 B12R0.206 CCCCCC=CC(=O)CCC#N 1458a_100016263427_100011215226 [0,2,0,0,0,0|1,0,0]=3 3679 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,2,0,0,0,0|1,0,0]=3 3680 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,2,0,0,0,0|1,0,0]=3 3681 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,2,0,0,0,0|1,0,0]=3 3682 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,2,0,0,0,0|0,0,0]=2 3683 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,2,0,0,0,0|0,1,0]=3 3684 B12R0.206 CCCCCC=CC(=O)NCC#N 1626a_100000734998_100016263427 [0,2,0,0,0,0|1,0,0]=3 3685 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 3686 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 3687 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 3688 B12R0.206 CCCCCC=CC(=O)NCCF 11a_100000724931_100016263427 [0,2,0,0,0,0|1,0,0]=3 3689 B12R0.206 CCCCCC=CC(=O)NCCF 1626a_100000724931_100016263427 [0,2,0,0,0,0|1,0,0]=3 3690 B12R0.206 CCCCCC=CC(=O)NCCF 240690a_100000724931_100016263427 [0,2,0,0,0,0|1,0,0]=3 3691 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,2,0,0,0,0|1,0,0]=3 3692 B12R0.206 CCCCCC=CC(=O)NNCC 22a_100000756455_100016263427 [0,2,0,0,0,0|1,0,0]=3 3693 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,2,0,0,0,0|0,0,2]=4 3694 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|0,0,2]=4 3695 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|0,0,2]=4 3696 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|0,0,2]=4 3697 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|0,0,2]=4 3698 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|0,0,2]=4 3699 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|0,0,2]=4 3700 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|0,0,2]=4 3701 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|0,0,2]=4 3702 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|0,0,2]=4 3703 B12R0.206 CCCCCCNC(=O)C=COC 1626a_100000210581_100016268678 [0,2,0,0,0,0|1,0,1]=4 3704 B12R0.206 CCCCCCNC(=O)C=COC 240690a_100000210581_100016268678 [0,2,0,0,0,0|1,0,1]=4 3705 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,2,0,0,0,0|1,0,1]=4 3706 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,2,0,0,0,0|1,0,1]=4 3707 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,2,0,0,0,0|1,0,1]=4 3708 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,2,0,0,0,0|1,0,1]=4 3709 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,2,0,0,0,0|1,0,1]=4 3710 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,2,0,0,0,0|1,0,1]=4 3711 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,2,0,0,0,0|1,0,1]=4 3712 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,2,0,0,0,0|1,0,1]=4 3713 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,2,0,0,0,0|1,0,1]=4 3714 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,2,0,0,0,0|1,0,1]=4 3715 B12R0.206 CCCCCNNC(=O)C=COC 22a_100000694160_100016268678 [0,2,0,0,0,0|2,0,0]=4 3716 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,2,0,0,0,0|2,0,0]=4 3717 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,2,0,0,0,0|2,0,0]=4 3718 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,2,0,0,0,0|1,0,1]=4 3719 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,2,0,0,0,0|1,0,1]=4 3720 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,2,0,0,0,0|1,0,1]=4 3721 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,2,0,0,0,0|1,0,1]=4 3722 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,2,0,0,0,0|0,0,2]=4 3723 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,2,0,0,0,0|1,0,1]=4 3724 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,2,0,0,0,0|1,0,1]=4 3725 B12R0.239 CCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210326 [0,2,0,0,0,0|2,0,0]=4 3726 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,2,0,0,0,0|1,0,1]=4 3727 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,2,0,0,0,0|1,0,1]=4 3728 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|1,0,1]=4 3729 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,2,0,0,0,0|0,0,1]=3 3730 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,2,0,0,0,0|0,1,1]=4 3731 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|1,0,1]=4 3732 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,2,0,0,0,0|1,0,1]=4 3733 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|0,0,1]=3 3734 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|0,0,1]=3 3735 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,2,0,0,0,0|1,0,1]=4 3736 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,2,0,0,0,0|1,0,1]=4 3737 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,2,0,0,0,0|1,0,1]=4 3738 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,2,0,0,0,0|1,0,1]=4 3739 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,2,0,0,0,0|1,0,1]=4 3740 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,2,0,0,0,0|1,0,1]=4 3741 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,2,0,0,0,0|1,0,1]=4 3742 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,2,0,0,0,0|1,0,1]=4 3743 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,2,0,0,0,0|1,0,1]=4 3744 B12R0.239 CCCCNC(=O)CC(=O)COC 1458a_100000210968_100000182744 [0,2,0,0,0,0|1,0,1]=4 3745 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,2,0,0,0,0|1,0,1]=4 3746 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,2,0,0,0,0|1,0,1]=4 3747 B12R0.239 CCCOCC(=CC(=O)OCC)C 34a_100000210258_100135422193 [0,2,0,0,0,0|1,0,0]=3 3748 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,2,0,0,0,0|1,0,1]=4 3749 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100000210303_100135422193 [0,2,0,0,0,0|1,0,0]=3 3750 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210303 [0,2,0,0,0,0|1,0,0]=3 3751 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,2,0,0,0,0|1,0,1]=4 3752 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,2,0,0,0,0|1,0,1]=4 3753 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,2,0,0,0,0|1,0,1]=4 3754 B12R0.239 CCCSCC(=O)NC(=O)OCC 62a_100000210303_100000010344 [0,2,0,0,0,0|2,0,0]=4 3755 B12R0.239 CCOC(=O)C=C(C)CNCCF 34a_100000724931_100135422193 [0,2,0,0,0,0|2,0,0]=4 3756 B12R0.239 CCOC(=O)C=C(C)CNCCO 2230a_100016997473_100135422193 [0,2,0,0,0,0|2,0,0]=4 3757 B12R0.239 CCOC(=O)C=C(C)CNCCO 34a_100016990907_100135422193 [0,2,0,0,0,0|2,0,0]=4 3758 B12R0.239 CCOC(=O)C=C(C)COCCBr 34a_100000211926_100135422193 [0,2,0,0,0,0|2,0,0]=4 3759 B12R0.239 CCOC(=O)C=C(C)COCCN 34a_100000210304_100135422193 [0,2,0,0,0,0|2,0,0]=4 3760 B12R0.239 CCOC(=O)C=C(C)CSCCF 62a_100011217306_100135422193 [0,2,0,0,0,0|2,0,0]=4 3761 B12R0.239 CCOC(=O)C=C(C)CSCCF 62a_100135422193_100011217306 [0,2,0,0,0,0|2,0,0]=4 3762 B12R0.239 CCOC(=O)C=C(C)CSCCO 62a_100000211926_100135422193 [0,2,0,0,0,0|2,0,0]=4 3763 B12R0.239 CCOC(=O)C=C(C)CSCCO 62a_100135422193_100000211926 [0,2,0,0,0,0|2,0,0]=4 3764 B12R0.239 CCOC(=O)C=C(C)CSCOC 62a_100000766300_100135422193 [0,2,0,0,0,0|2,0,0]=4 3765 B12R0.239 CCOC(=O)C=C(C)CSCOC 62a_100135422193_100000766300 [0,2,0,0,0,0|2,0,0]=4 3766 B12R0.239 CCOC(=O)C=C(C)CSCSC 62a_100011218213_100135422193 [0,2,0,0,0,0|2,0,0]=4 3767 B12R0.239 CCOC(=O)C=C(C)CSCSC 62a_100135422193_100011218213 [0,2,0,0,0,0|2,0,0]=4 3768 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,2,0,0,0,0|1,0,1]=4 3769 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,2,0,0,0,0|1,0,1]=4 3770 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,2,0,0,0,0|1,0,1]=4 3771 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,2,0,0,0,0|1,0,1]=4 3772 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,2,0,0,0,0|1,0,1]=4 3773 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,2,0,0,0,0|1,0,1]=4 3774 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,2,0,0,0,0|1,0,1]=4 3775 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,2,0,0,0,0|1,0,1]=4 3776 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,2,0,0,0,0|1,0,1]=4 3777 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,2,0,0,0,0|1,0,1]=4 3778 B12R0.276 C#CCC(C)OC/C=C/C(=O)OC 34a_100000685586_100000742655 [0,2,0,0,0,0|0,0,2]=4 3779 B12R0.276 C#CCC(C)OC/C=C/C(=O)OC 7a_100000685586_100000742655 [0,2,0,0,0,0|0,0,2]=4 3780 B12R0.276 C/C=C/C(C)OC/C=C/C(=O)OC 34a_200102604097_100000742655 [0,2,0,0,0,0|0,0,2]=4 3781 B12R0.276 C=CC[C@@H](C)OC/C=C/C(=O)OC 34a_100000731007_100000742655 [0,2,0,0,0,0|0,0,2]=4 3782 B12R0.276 C=CC[C@@H](C)OC/C=C/C(=O)OC 7a_100000731007_100000742655 [0,2,0,0,0,0|0,0,2]=4 3783 B12R0.276 CC#CC(C)OC/C=C/C(=O)OC 34a_100011216543_100000742655 [0,2,0,0,0,0|0,0,2]=4 3784 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,2,0,0,0,0|0,0,2]=4 3785 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,2,0,0,0,0|0,0,2]=4 3786 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,2,0,0,0,0|1,0,1]=4 3787 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,2,0,0,0,0|1,0,1]=4 3788 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,2,0,0,0,0|0,0,2]=4 3789 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,2,0,0,0,0|0,0,2]=4 3790 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,2,0,0,0,0|0,0,2]=4 3791 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,2,0,0,0,0|0,0,2]=4 3792 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,2,0,0,0,0|0,0,2]=4 3793 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,2,0,0,0,0|0,0,2]=4 3794 B12R0.276 CCCC(C)CSCOC(=O)OC 62a_100011216630_100000139417 [0,2,0,0,0,0|1,0,1]=4 3795 B12R0.276 CCCC(C)NC/C=C/C(=O)OC 2230a_100000741246_100000742655 [0,2,0,0,0,0|0,0,0]=2 3796 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,2,0,0,0,0|0,0,2]=4 3797 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 34a_100000764384_100000742655 [0,2,0,0,0,0|0,0,0]=2 3798 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 7a_100000764384_100000742655 [0,2,0,0,0,0|0,0,0]=2 3799 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,2,0,0,0,0|0,0,2]=4 3800 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,2,0,0,0,0|0,0,2]=4 3801 B12R0.276 CCCC(C)OCCNC(=O)OC 34a_100000757965_100000766640 [0,2,0,0,0,0|1,0,1]=4 3802 B12R0.276 CCCC(C)OCCOC(=O)OC 34a_100010262106_100000766640 [0,2,0,0,0,0|1,0,1]=4 3803 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000766640 [0,2,0,0,0,0|0,0,0]=2 3804 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000766640_100000742655 [0,2,0,0,0,0|0,0,0]=2 3805 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,2,0,0,0,0|0,0,2]=4 3806 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,2,0,0,0,0|0,0,2]=4 3807 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,2,0,0,0,0|0,0,2]=4 3808 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,2,0,0,0,0|0,0,2]=4 3809 B12R0.276 CCCN(C)CCOCC(=O)OC 2230a_100000747261_100000090808 [0,2,0,0,0,0|1,0,1]=4 3810 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,2,0,0,0,0|0,0,2]=4 3811 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,2,0,0,0,0|0,0,2]=4 3812 B12R0.276 CCOC(=O)/C=C/CNC(C)CC 2230a_100000209981_100016267167 [0,2,0,0,0,0|1,0,0]=3 3813 B12R0.276 CCOC(=O)/C=C/CN[C@H](C)CO 2230a_100000737577_100016267167 [0,2,0,0,0,0|2,0,0]=4 3814 B12R0.276 CCOC(=O)/C=C/COC(C)CC 7a_100000210228_100016267167 [0,2,0,0,0,0|1,0,0]=3 3815 B12R0.276 CCOC(=O)/C=C/COC(C)CF 34a_100016041109_100016267167 [0,2,0,0,0,0|2,0,0]=4 3816 B12R0.276 CCOC(=O)/C=C/COC(C)CF 7a_100016041109_100016267167 [0,2,0,0,0,0|2,0,0]=4 3817 B12R0.276 CCOC(=O)/C=C/COC(C)CN 34a_100000210904_100016267167 [0,2,0,0,0,0|2,0,0]=4 3818 B12R0.276 CCOC(=O)/C=C/CSC(C)CC 62a_100000758301_100016267167 [0,2,0,0,0,0|1,0,0]=3 3819 B12R0.276 CCOC(=O)/C=C/CSC(C)CC 62a_100016267167_100000758301 [0,2,0,0,0,0|1,0,0]=3 3820 B12R0.276 CCOC(=O)/C=C/CSC(C)CO 62a_100012180447_100016267167 [0,2,0,0,0,0|2,0,0]=4 3821 B12R0.276 CCOC(=O)/C=C/CSC(C)OC 62a_100009879195_100016267167 [0,2,0,0,0,0|2,0,0]=4 3822 B12R0.276 CCOC(=O)/C=C/CSC(C)OC 62a_100016267167_100009879195 [0,2,0,0,0,0|2,0,0]=4 3823 B12R0.276 CCOC(=O)/C=C/CS[C@H](C)CO 62a_100016084084_100016267167 [0,2,0,0,0,0|2,0,0]=4 3824 B12R0.276 CCOC(=O)/C=C/CS[C@H](C)CO 62a_100016267167_100016084084 [0,2,0,0,0,0|2,0,0]=4 3825 B12R0.276 CCOC(=O)C=NNCC(O)CC 4a_100015206393_100000742314 [0,2,0,0,0,0|2,0,0]=4 3826 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [0,2,0,0,0,0|1,0,1]=4 3827 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,2,0,0,0,0|1,0,1]=4 3828 B12R0.276 COC(=O)/C=C/CN[C@@H](C)CC#N 2230a_100016994482_100000742655 [0,2,0,0,0,0|1,0,1]=4 3829 B12R0.276 COC(=O)/C=C/CN[C@H](C)CCO 2230a_100000706166_100000742655 [0,2,0,0,0,0|1,0,0]=3 3830 B12R0.276 COC(=O)/C=C/CN[C@H](C)CCO 34a_100000706166_100000742655 [0,2,0,0,0,0|1,0,0]=3 3831 B12R0.276 COC(=O)/C=C/COC(C)CCBr 34a_100012276601_100000742655 [0,2,0,0,0,0|1,0,0]=3 3832 B12R0.276 COC(=O)/C=C/CSC(C)CC#N 62a_100000742655_100009813641 [0,2,0,0,0,0|1,0,1]=4 3833 B12R0.276 COC(=O)/C=C/CSC(C)CC#N 62a_100009813641_100000742655 [0,2,0,0,0,0|1,0,1]=4 3834 B12R0.276 COC(=O)/C=C/CSC(C)CCO 62a_100000742655_100009893172 [0,2,0,0,0,0|1,0,0]=3 3835 B12R0.276 COC(=O)/C=C/CSC(C)CCO 62a_100009893172_100000742655 [0,2,0,0,0,0|1,0,0]=3 3836 B12R0.276 COC(=O)C=NNCC(O)CSC 4a_200000122717_200011823558 [0,2,0,0,0,0|2,0,0]=4 3837 B12R0.276 COCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000765312 [0,2,0,0,0,0|1,0,0]=3 3838 B12R0.276 COCC(C)SC/C=C/C(=O)OC 62a_100000765312_100000742655 [0,2,0,0,0,0|1,0,0]=3 3839 B12R0.276 COC[C@@H](C)NC/C=C/C(=O)OC 2230a_100000764878_100000742655 [0,2,0,0,0,0|1,0,0]=3 3840 B12R0.276 COC[C@@H](C)OC/C=C/C(=O)OC 34a_100011934205_100000742655 [0,2,0,0,0,0|1,0,0]=3 3841 B12R0.277 C=C(C)COC/C=C/C(=O)OCC 34a_100000210245_100016267167 [0,2,0,0,0,0|1,0,1]=4 3842 B12R0.277 C=C(C)CSC/C=C/C(=O)OCC 62a_100000748629_100016267167 [0,2,0,0,0,0|1,0,1]=4 3843 B12R0.277 C=C(C)CSC/C=C/C(=O)OCC 62a_100016267167_100000211660 [0,2,0,0,0,0|1,0,1]=4 3844 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 2230a_100000210953_100016267167 [0,2,0,0,0,0|1,0,0]=3 3845 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 34a_100000210953_100016267167 [0,2,0,0,0,0|1,0,0]=3 3846 B12R0.277 CCOC(=O)/C=C/CNCC(C)O 2230a_100000210904_100016267167 [0,2,0,0,0,0|1,0,0]=3 3847 B12R0.277 CCOC(=O)/C=C/CNCC(C)O 34a_100000210904_100016267167 [0,2,0,0,0,0|1,0,0]=3 3848 B12R0.277 CCOC(=O)/C=C/CNCC(F)F 34a_100000765723_100016267167 [0,2,0,0,0,0|2,0,0]=4 3849 B12R0.277 CCOC(=O)/C=C/COCC(=O)C 34a_100000211253_100016267167 [0,2,0,0,0,0|1,0,1]=4 3850 B12R0.277 CCOC(=O)/C=C/COCC(C)Br 34a_100012180447_100016267167 [0,2,0,0,0,0|1,0,0]=3 3851 B12R0.277 CCOC(=O)/C=C/COCC(C)C 34a_100000210257_100016267167 [0,2,0,0,0,0|1,0,0]=3 3852 B12R0.277 CCOC(=O)/C=C/COCC(C)F 34a_100015925927_100016267167 [0,2,0,0,0,0|1,0,0]=3 3853 B12R0.277 CCOC(=O)/C=C/COCC(F)F 34a_100000743014_100016267167 [0,2,0,0,0,0|2,0,0]=4 3854 B12R0.277 CCOC(=O)/C=C/COC[C@@H](C)Cl 34a_100016084084_100016267167 [0,2,0,0,0,0|1,0,0]=3 3855 B12R0.277 CCOC(=O)/C=C/COC[C@@H](C)N 34a_100000737577_100016267167 [0,2,0,0,0,0|1,0,0]=3 3856 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100000210624_100016267167 [0,2,0,0,0,0|1,0,0]=3 3857 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100016267167_100000210760 [0,2,0,0,0,0|1,0,0]=3 3858 B12R0.277 CCOC(=O)/C=C/CSCC(C)O 62a_100011218427_100016267167 [0,2,0,0,0,0|1,0,0]=3 3859 B12R0.277 CCOC(=O)/C=C/CSCC(C)O 62a_100016267167_100011218427 [0,2,0,0,0,0|1,0,0]=3 3860 B12R0.277 CCOC(=O)/C=C/CSCC(F)F 62a_100011934356_100016267167 [0,2,0,0,0,0|2,0,0]=4 3861 B12R0.277 CCOC(=O)/C=C/CSCC(F)F 62a_100016267167_100011934356 [0,2,0,0,0,0|2,0,0]=4 3862 B12R0.277 CCOC(=O)/C=C/CSC[C@@H](C)O 62a_100009817552_100016267167 [0,2,0,0,0,0|1,0,0]=3 3863 B12R0.277 CCOC(=O)/C=C/CSC[C@@H](C)O 62a_100016267167_100009817552 [0,2,0,0,0,0|1,0,0]=3 3864 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [0,2,0,0,0,0|1,0,1]=4 3865 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [0,2,0,0,0,0|1,0,1]=4 3866 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,2,0,0,0,0|1,0,1]=4 3867 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,2,0,0,0,0|1,0,1]=4 3868 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [0,2,0,0,0,0|1,0,1]=4 3869 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [0,2,0,0,0,0|1,0,1]=4 3870 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [0,2,0,0,0,0|1,0,1]=4 3871 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [0,2,0,0,0,0|1,0,1]=4 3872 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,2,0,0,0,0|0,0,2]=4 3873 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,2,0,0,0,0|1,0,1]=4 3874 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,2,0,0,0,0|1,0,1]=4 3875 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,2,0,0,0,0|1,0,1]=4 3876 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,2,0,0,0,0|1,0,1]=4 3877 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 2230a_100000747261_100016267167 [0,2,0,0,0,0|1,0,0]=3 3878 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 269982a_100000747261_100016267167 [0,2,0,0,0,0|1,0,0]=3 3879 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,2,0,0,0,0|1,0,1]=4 3880 B12R0.285 CCOC(=O)/C=C/CN(C)CCO 2230a_100000210263_100016267167 [0,2,0,0,0,0|2,0,0]=4 3881 B12R0.285 CCOC(=O)/C=C/CN(C)CCO 269982a_100000210263_100016267167 [0,2,0,0,0,0|2,0,0]=4 3882 B12R0.102 C=CCCN(C)C/C=C/C(=O)OC 2230a_100020639649_100000742655 [0,2,0,0,0,0|0,0,2]=4 3883 B12R0.102 C=CCCN(C)C/C=C/C(=O)OC 269982a_100020639649_100000742655 [0,2,0,0,0,0|0,0,2]=4 3884 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,2,0,0,0,0|0,0,2]=4 3885 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,2,0,0,0,0|0,0,2]=4 3886 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [0,2,0,0,0,0|1,0,1]=4 3887 B12R0.102 CCCCC(=O)NN=CC(=O)OC 4a_100000189769_200011823558 [0,2,0,0,0,0|1,0,1]=4 3888 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,2,0,0,0,0|0,0,2]=4 3889 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,2,0,0,0,0|0,0,2]=4 3890 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [0,2,0,0,0,0|0,0,2]=4 3891 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,2,0,0,0,0|0,0,2]=4 3892 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,2,0,0,0,0|0,0,2]=4 3893 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [0,2,0,0,0,0|0,0,2]=4 3894 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [0,2,0,0,0,0|0,0,2]=4 3895 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [0,2,0,0,0,0|1,0,1]=4 3896 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 2230a_100000207549_100000742655 [0,2,0,0,0,0|0,0,0]=2 3897 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 269982a_100000207549_100000742655 [0,2,0,0,0,0|0,0,0]=2 3898 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,2,0,0,0,0|0,0,2]=4 3899 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,2,0,0,0,0|0,0,2]=4 3900 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,2,0,0,0,0|0,0,2]=4 3901 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|0,0,2]=4 3902 B12R0.102 CCCOC(C)CNCC(=O)OC 2230a_100015185124_100000747449 [0,2,0,0,0,0|1,0,1]=4 3903 B12R0.102 CCCOC(C)CNCC(=O)OC 34a_100015185124_100000747449 [0,2,0,0,0,0|1,0,1]=4 3904 B12R0.102 CCOCC(O)CNCC(=O)OC 2230a_102515437182_100000747449 [0,2,0,0,0,0|1,0,1]=4 3905 B12R0.102 CCOCC(O)CNCC(=O)OC 34a_102515437182_100000747449 [0,2,0,0,0,0|1,0,1]=4 3906 B12R0.102 COC(=O)/C=C/CN(C)CCC#N 2230a_100000184479_100000742655 [0,2,0,0,0,0|1,0,1]=4 3907 B12R0.102 COC(=O)/C=C/CN(C)CCCO 2230a_100000213112_100000742655 [0,2,0,0,0,0|1,0,0]=3 3908 B12R0.102 COC(=O)/C=C/CN(C)CCCO 269982a_100000213112_100000742655 [0,2,0,0,0,0|1,0,0]=3 3909 B12R0.102 COC(=O)/C=C/CN(C)CCSC 2230a_100000686725_100000742655 [0,2,0,0,0,0|1,0,0]=3 3910 B12R0.102 COC(=O)/C=C/CN(C)CCSC 269982a_100000686725_100000742655 [0,2,0,0,0,0|1,0,0]=3 3911 B12R0.102 COC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747449 [0,2,0,0,0,0|1,0,1]=4 3912 B12R0.102 COC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000747449 [0,2,0,0,0,0|1,0,1]=4 3913 B12R0.102 COC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000747449 [0,2,0,0,0,0|1,0,1]=4 3914 B12R0.102 COCCN(C)C/C=C/C(=O)OC 2230a_100000743101_100000742655 [0,2,0,0,0,0|1,0,0]=3 3915 B12R0.102 COCCN(C)C/C=C/C(=O)OC 269982a_100000743101_100000742655 [0,2,0,0,0,0|1,0,0]=3 3916 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000211351_100010269958 [0,2,0,0,0,0|0,0,2]=4 3917 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000696528_100000747449 [0,2,0,0,0,0|0,0,2]=4 3918 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215482 [0,2,0,0,0,0|0,0,2]=4 3919 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100011215552_100000747449 [0,2,0,0,0,0|0,0,2]=4 3920 B12R0.113 CC/C=C\CCC(=O)CC(=O)OC 1458a_100000211351_100015370543 [0,2,0,0,0,0|0,0,2]=4 3921 B12R0.113 CCC(=CC(=O)CCCCCF)C 1458a_100020758463_100000729378 [0,2,0,0,0,0|2,0,0]=4 3922 B12R0.113 CCC(=CC(=O)CCCCCO)C 1458a_100020758463_100000746330 [0,2,0,0,0,0|2,0,0]=4 3923 B12R0.113 CCC(=CC(=O)CCCCOC)C 1458a_100020758463_100000755781 [0,2,0,0,0,0|2,0,0]=4 3924 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,2,0,0,0,0|1,0,1]=4 3925 B12R0.113 CCC/C=C/CC(=O)CC(=O)OC 1458a_200016266809_100000747449 [0,2,0,0,0,0|0,0,2]=4 3926 B12R0.113 CCCCC=CC(=O)CC(=O)CC 1458a_100016266645_100000747405 [0,2,0,0,0,0|1,0,1]=4 3927 B12R0.113 CCCCC=CC(=O)CC(=O)NC 1458a_100016266645_100000183359 [0,2,0,0,0,0|1,0,1]=4 3928 B12R0.113 CCCCC=CC(=O)CC(=O)OC 1458a_100016266645_100000747449 [0,2,0,0,0,0|0,0,1]=3 3929 B12R0.113 CCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210757 [0,2,0,0,0,0|2,0,0]=4 3930 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|1,0,1]=4 3931 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|1,0,1]=4 3932 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|0,0,1]=3 3933 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|0,0,1]=3 3934 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,2,0,0,0,0|0,0,2]=4 3935 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,2,0,0,0,0|0,0,2]=4 3936 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,2,0,0,0,0|0,0,2]=4 3937 B12R0.113 CCCCCNC(=O)C=C(C)CC 11a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 3938 B12R0.113 CCCCCNC(=O)C=C(C)CC 1626a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 3939 B12R0.113 CCCCCNC(=O)C=C(C)CC 240690a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 3940 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,2,0,0,0,0|1,0,1]=4 3941 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [0,2,0,0,0,0|0,0,1]=3 3942 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,2,0,0,0,0|0,0,2]=4 3943 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,2,0,0,0,0|0,0,2]=4 3944 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,2,0,0,0,0|0,0,2]=4 3945 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,2,0,0,0,0|0,0,2]=4 3946 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,2,0,0,0,0|0,0,2]=4 3947 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [0,2,0,0,0,0|0,0,2]=4 3948 B12R0.113 CCCCNN=C(C)CC(=O)OC 4a_100025702795_100000210079 [0,2,0,0,0,0|1,0,1]=4 3949 B12R0.113 CCCCNNC(=O)CC(=O)OC 22a_100025702795_100000211351 [0,2,0,0,0,0|1,0,1]=4 3950 B12R0.113 CCCCOCC(=O)C=C(C)CC 1458a_100020758463_100011995733 [0,2,0,0,0,0|2,0,0]=4 3951 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,2,0,0,0,0|1,0,1]=4 3952 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [0,2,0,0,0,0|1,0,1]=4 3953 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [0,2,0,0,0,0|0,0,1]=3 3954 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [0,2,0,0,0,0|0,0,1]=3 3955 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [0,2,0,0,0,0|1,0,1]=4 3956 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,2,0,0,0,0|0,0,2]=4 3957 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,2,0,0,0,0|0,0,2]=4 3958 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,2,0,0,0,0|1,0,1]=4 3959 B12R0.113 CCCCSCC(=O)CC(=O)NC 1458a_100000191162_100000183359 [0,2,0,0,0,0|1,0,1]=4 3960 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [0,2,0,0,0,0|0,0,1]=3 3961 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [0,2,0,0,0,0|0,0,1]=3 3962 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [0,2,0,0,0,0|0,0,1]=3 3963 B12R0.113 CCCCSCC(=O)NC(=O)OC 62a_100000210211_100000010850 [0,2,0,0,0,0|1,0,0]=3 3964 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [0,2,0,0,0,0|0,0,2]=4 3965 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [0,2,0,0,0,0|0,0,2]=4 3966 B12R0.113 CCCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215938 [0,2,0,0,0,0|2,0,0]=4 3967 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [0,2,0,0,0,0|0,0,1]=3 3968 B12R0.113 CCCOCCN(C)CC(=O)OC 2230a_100000198492_100011215938 [0,2,0,0,0,0|1,0,1]=4 3969 B12R0.113 CCOCCCC(=O)C=C(C)CC 1458a_100020758463_100012232248 [0,2,0,0,0,0|2,0,0]=4 3970 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [0,2,0,0,0,0|0,0,1]=3 3971 B12R0.113 CCOCCCN(C)CC(=O)OC 2230a_100000198492_100012232248 [0,2,0,0,0,0|1,0,1]=4 3972 B12R0.113 CCOCCNC(=O)CC(=O)OC 240690a_100011200944_100000211351 [0,2,0,0,0,0|1,0,1]=4 3973 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000210525_100000739092 [0,2,0,0,0,0|1,0,1]=4 3974 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000739092_100000210525 [0,2,0,0,0,0|1,0,1]=4 3975 B12R0.113 CCOCSCC(=O)NC(=O)OC 62a_100000739092_100000010850 [0,2,0,0,0,0|2,0,0]=4 3976 B12R0.113 CCSCCNC(=O)CC(=O)OC 240690a_100000106463_100000211351 [0,2,0,0,0,0|1,0,1]=4 3977 B12R0.113 CNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183359 [0,2,0,0,0,0|1,0,1]=4 3978 B12R0.113 COC(=O)CC(=O)CCCCC#N 1458a_100000211351_100000211819 [0,2,0,0,0,0|0,0,2]=4 3979 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [0,2,0,0,0,0|0,0,1]=3 3980 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [0,2,0,0,0,0|0,0,1]=3 3981 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [0,2,0,0,0,0|0,0,1]=3 3982 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100000211351_100011215305 [0,2,0,0,0,0|1,0,1]=4 3983 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100011229844_100000747449 [0,2,0,0,0,0|1,0,1]=4 3984 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100000210525_100011934791 [0,2,0,0,0,0|1,0,1]=4 3985 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100011934791_100000210525 [0,2,0,0,0,0|1,0,1]=4 3986 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100000210525_100011215043 [0,2,0,0,0,0|1,0,1]=4 3987 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100011215043_100000210525 [0,2,0,0,0,0|1,0,1]=4 3988 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000210525_100000751147 [0,2,0,0,0,0|1,0,1]=4 3989 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000212216_100000210525 [0,2,0,0,0,0|1,0,1]=4 3990 B12R0.113 COC(=O)CC(=O)NCCCCO 240690a_100000750430_100000211351 [0,2,0,0,0,0|1,0,1]=4 3991 B12R0.113 COC(=O)CC(=O)NCCCSC 240690a_100000749238_100000211351 [0,2,0,0,0,0|1,0,1]=4 3992 B12R0.113 COC(=O)CN(C)CCCCCF 2230a_100000198492_100000729378 [0,2,0,0,0,0|1,0,1]=4 3993 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000198492_100000746330 [0,2,0,0,0,0|1,0,1]=4 3994 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000722520_100000747449 [0,2,0,0,0,0|1,0,1]=4 3995 B12R0.113 COC(=O)CN(C)CCCCCO 269982a_100000722520_100000747449 [0,2,0,0,0,0|1,0,1]=4 3996 B12R0.113 COC(=O)NC(=O)CSCCCF 62a_100011934791_100000010850 [0,2,0,0,0,0|2,0,0]=4 3997 B12R0.113 COC(=O)NC(=O)CSCCCO 62a_100011215043_100000010850 [0,2,0,0,0,0|2,0,0]=4 3998 B12R0.113 COC(=O)NC(=O)CSCCSC 62a_100000212216_100000010850 [0,2,0,0,0,0|2,0,0]=4 3999 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [0,2,0,0,0,0|0,0,1]=3 4000 B12R0.113 COCCCCN(C)CC(=O)OC 2230a_100000198492_100000730899 [0,2,0,0,0,0|1,0,1]=4 4001 B12R0.113 COCCCNC(=O)CC(=O)OC 240690a_100150723488_100000211351 [0,2,0,0,0,0|1,0,1]=4 4002 B12R0.113 COCCOCC(=O)CC(=O)OC 1458a_100000211095_100000747449 [0,2,0,0,0,0|1,0,1]=4 4003 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000210525_100000233755 [0,2,0,0,0,0|1,0,1]=4 4004 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000233755_100000210525 [0,2,0,0,0,0|1,0,1]=4 4005 B12R0.113 COCCSCC(=O)NC(=O)OC 62a_100000233755_100000010850 [0,2,0,0,0,0|2,0,0]=4 4006 B12R0.142 CC=C(C)C=CC(=O)CCCCC 1458a_100000692105_100000210326 [0,2,0,0,0,0|2,0,0]=4 4007 B12R0.142 CCCCCC(=NNC(=O)CC)C 4a_100000183195_100000211708 [0,2,0,0,0,0|2,0,0]=4 4008 B12R0.142 CCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210326 [0,2,0,0,0,0|1,0,0]=3 4009 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,2,0,0,0,0|1,0,1]=4 4010 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,2,0,0,0,0|0,0,1]=3 4011 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [0,2,0,0,0,0|1,0,1]=4 4012 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [0,2,0,0,0,0|0,0,1]=3 4013 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 4014 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 4015 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 4016 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,2,0,0,0,0|0,0,1]=3 4017 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000183195_100000212188 [0,2,0,0,0,0|2,0,0]=4 4018 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000189784_100000210414 [0,2,0,0,0,0|2,0,0]=4 4019 B12R0.142 CCCCCC(=O)NNC(=O)NC 273464a_100102657272_100000189784 [0,2,0,0,0,0|2,0,0]=4 4020 B12R0.142 CCCCCC(=O)NNC(=O)NC 512a_100000189784_100102657272 [0,2,0,0,0,0|2,0,0]=4 4021 B12R0.142 CCCCCC(=O)NNC(=O)NC 512a_106832991638_100000189784 [0,2,0,0,0,0|2,0,0]=4 4022 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,2,0,0,0,0|0,0,2]=4 4023 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,2,0,0,0,0|0,0,2]=4 4024 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,2,0,0,0,0|0,0,2]=4 4025 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,2,0,0,0,0|0,0,2]=4 4026 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,2,0,0,0,0|0,0,2]=4 4027 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,2,0,0,0,0|0,0,2]=4 4028 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,2,0,0,0,0|0,0,2]=4 4029 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,2,0,0,0,0|0,0,2]=4 4030 B12R0.142 CCCCNC(=O)C=CC(=O)NC 1626a_100000102301_100016259477 [0,2,0,0,0,0|1,0,1]=4 4031 B12R0.142 CCCCNC(=O)C=CC(=O)OC 1626a_100000102301_100016283253 [0,2,0,0,0,0|0,0,1]=3 4032 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 4033 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 4034 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 4035 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 4036 B12R0.142 CCCCNC(=O)CNC(=O)OC 11a_100000102301_100000215747 [0,2,0,0,0,0|1,0,1]=4 4037 B12R0.142 CCCCNC(=O)CNC(=O)OC 1626a_100000102301_100000215747 [0,2,0,0,0,0|1,0,1]=4 4038 B12R0.142 CCCCNC(=O)CNC(=O)OC 240690a_100000102301_100000215747 [0,2,0,0,0,0|1,0,1]=4 4039 B12R0.142 CCCCNC(=O)CNC(=O)OC 527a_100000102301_100000215747 [0,2,0,0,0,0|1,0,1]=4 4040 B12R0.142 CCCCOC(=O)C=CC(=O)NC 1626a_100102657272_100015195251 [0,2,0,0,0,0|1,0,1]=4 4041 B12R0.142 CCCCOC(=O)C=CC(=O)NC 240690a_100102657272_100015195251 [0,2,0,0,0,0|1,0,1]=4 4042 B12R0.142 CCCNN=C(C)C=CC(=O)OC 4a_100000740057_100016258046 [0,2,0,0,0,0|1,0,1]=4 4043 B12R0.142 CCCNNC(=O)C=CC(=O)OC 22a_100000740057_100016283253 [0,2,0,0,0,0|1,0,1]=4 4044 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [0,2,0,0,0,0|1,0,1]=4 4045 B12R0.142 CCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000745993 [0,2,0,0,0,0|1,0,1]=4 4046 B12R0.142 CCCOCC(=O)NCC(=O)OC 34a_100000210258_100000182966 [0,2,0,0,0,0|1,0,1]=4 4047 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000210303_100000691467 [0,2,0,0,0,0|1,0,1]=4 4048 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210303 [0,2,0,0,0,0|1,0,1]=4 4049 B12R0.142 CCCSCC(=O)NCC(=O)OC 188690a_100000185156_100000217233 [0,2,0,0,0,0|1,0,1]=4 4050 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000182966_100000210303 [0,2,0,0,0,0|1,0,1]=4 4051 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000210303_100000182966 [0,2,0,0,0,0|1,0,1]=4 4052 B12R0.142 CCOCCC(=O)C=CC(=O)NC 1458a_100016259477_100011215890 [0,2,0,0,0,0|1,0,1]=4 4053 B12R0.142 CCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215890 [0,2,0,0,0,0|1,0,1]=4 4054 B12R0.142 CCOCCC(=O)CNC(=O)OC 1458a_100000215747_100011215890 [0,2,0,0,0,0|1,0,1]=4 4055 B12R0.142 CCOCCC(=O)NCC(=O)OC 188690a_100000185156_100000749530 [0,2,0,0,0,0|1,0,1]=4 4056 B12R0.142 CCSCCC(=O)C=CC(=O)NC 1458a_100016259477_100000757381 [0,2,0,0,0,0|1,0,1]=4 4057 B12R0.142 CCSCCC(=O)CCC(=O)OC 1458a_100000187943_100000757381 [0,2,0,0,0,0|1,0,1]=4 4058 B12R0.142 CCSCCC(=O)CNC(=O)OC 1458a_100000215747_100000757381 [0,2,0,0,0,0|1,0,1]=4 4059 B12R0.142 CCSCCC(=O)NCC(=O)OC 188690a_100000185156_100000230768 [0,2,0,0,0,0|1,0,1]=4 4060 B12R0.142 CNC(=O)C=CC(=O)CCCCF 1458a_100016259477_100000729493 [0,2,0,0,0,0|1,0,1]=4 4061 B12R0.142 CNC(=O)C=CC(=O)CCCCO 1458a_100016259477_100000210776 [0,2,0,0,0,0|1,0,1]=4 4062 B12R0.142 CNC(=O)C=CC(=O)CCCOC 1458a_100016259477_100000740836 [0,2,0,0,0,0|1,0,1]=4 4063 B12R0.142 COC(=O)C=CC(=O)NCCCF 1626a_100015189416_100016283253 [0,2,0,0,0,0|1,0,1]=4 4064 B12R0.142 COC(=O)C=CC(=O)NCCSC 1626a_100020590264_100016283253 [0,2,0,0,0,0|1,0,1]=4 4065 B12R0.142 COC(=O)CCC(=O)CCCCF 1458a_100000187943_100000729493 [0,2,0,0,0,0|1,0,1]=4 4066 B12R0.142 COC(=O)CCC(=O)CCCCO 1458a_100000187943_100000210776 [0,2,0,0,0,0|1,0,1]=4 4067 B12R0.142 COC(=O)CNC(=O)CCCCO 188690a_100000185156_100000695505 [0,2,0,0,0,0|1,0,1]=4 4068 B12R0.142 COC(=O)CNC(=O)CCCSC 188690a_100000185156_100000173376 [0,2,0,0,0,0|1,0,1]=4 4069 B12R0.142 COC(=O)NCC(=O)CCCCF 1458a_100000215747_100000729493 [0,2,0,0,0,0|1,0,1]=4 4070 B12R0.142 COC(=O)NCC(=O)CCCCO 1458a_100000215747_100000210776 [0,2,0,0,0,0|1,0,1]=4 4071 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [0,2,0,0,0,0|1,0,1]=4 4072 B12R0.142 COCCCC(=O)CNC(=O)OC 1458a_100000215747_100000740836 [0,2,0,0,0,0|1,0,1]=4 4073 B12R0.142 COCCCC(=O)NCC(=O)OC 188690a_100000185156_100000741012 [0,2,0,0,0,0|1,0,1]=4 4074 B12R0.142 COCCCC(C)OCC(=O)OC 34a_200011539412_100000747449 [0,2,0,0,0,0|1,0,1]=4 4075 B12R0.142 COCCCC(C)OCC(=O)OC 7a_200011539412_100000747449 [0,2,0,0,0,0|1,0,1]=4 4076 B12R0.142 COCCNC(=O)C=CC(=O)OC 1626a_100000209980_100016283253 [0,2,0,0,0,0|1,0,1]=4 4077 B12R0.183 C=CC(C)COC/C=C/C(=O)OC 34a_100011215527_100000742655 [0,2,0,0,0,0|1,0,0]=3 4078 B12R0.183 C=CC(C)COC/C=C/C(=O)OC 7a_100011215527_100000742655 [0,2,0,0,0,0|1,0,0]=3 4079 B12R0.183 C=CC(O)CSC/C=C/C(=O)OC 62a_100000730141_100000742655 [0,2,0,0,0,0|0,0,2]=4 4080 B12R0.183 C=CC(O)CSC/C=C/C(=O)OC 62a_100000742655_100000730141 [0,2,0,0,0,0|0,0,2]=4 4081 B12R0.183 C=C[C@H](N)COC/C=C/C(=O)OC 34a_100016989147_100000742655 [0,2,0,0,0,0|0,0,2]=4 4082 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,2,0,0,0,0|0,0,2]=4 4083 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,2,0,0,0,0|0,0,2]=4 4084 B12R0.183 CCC(=O)COC/C=C/C(=O)OC 34a_100000725409_100000742655 [0,2,0,0,0,0|0,0,1]=3 4085 B12R0.183 CCC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000747405 [0,2,0,0,0,0|0,0,1]=3 4086 B12R0.183 CCC(=O)CSC/C=C/C(=O)OC 62a_100000747405_100000742655 [0,2,0,0,0,0|0,0,1]=3 4087 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,2,0,0,0,0|0,0,2]=4 4088 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,2,0,0,0,0|0,0,2]=4 4089 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,2,0,0,0,0|0,0,2]=4 4090 B12R0.183 CCC(C)CNC/C=C/C(=O)OC 2230a_100020588543_100000742655 [0,2,0,0,0,0|0,0,0]=2 4091 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,2,0,0,0,0|0,0,2]=4 4092 B12R0.183 CCC(C)COCCNC(=O)OC 34a_100000757965_100000748023 [0,2,0,0,0,0|1,0,1]=4 4093 B12R0.183 CCC(C)COCCOC(=O)OC 34a_100010262106_100000748023 [0,2,0,0,0,0|1,0,1]=4 4094 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000742655_100000748023 [0,2,0,0,0,0|0,0,0]=2 4095 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000748023_100000742655 [0,2,0,0,0,0|0,0,0]=2 4096 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,2,0,0,0,0|0,0,2]=4 4097 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,2,0,0,0,0|0,0,2]=4 4098 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,2,0,0,0,0|0,0,2]=4 4099 B12R0.183 CCC(C)NCCOCC(=O)OC 2230a_100000209981_100000090808 [0,2,0,0,0,0|1,0,1]=4 4100 B12R0.183 CCC(C)NN=CC=CC(=O)OC 4a_100000718999_100016254430 [0,2,0,0,0,0|1,0,1]=4 4101 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,2,0,0,0,0|0,0,2]=4 4102 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,2,0,0,0,0|0,0,2]=4 4103 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,2,0,0,0,0|0,0,2]=4 4104 B12R0.183 CCC(C)OCCOCC(=O)OC 7a_100000210228_100000090808 [0,2,0,0,0,0|1,0,1]=4 4105 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,2,0,0,0,0|0,0,2]=4 4106 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,2,0,0,0,0|0,0,2]=4 4107 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000090808_100000758301 [0,2,0,0,0,0|1,0,1]=4 4108 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000758301_100000090808 [0,2,0,0,0,0|1,0,1]=4 4109 B12R0.183 CCC(O)CNC/C=C/C(=O)OC 2230a_100011218483_100000742655 [0,2,0,0,0,0|0,0,0]=2 4110 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,2,0,0,0,0|0,0,2]=4 4111 B12R0.183 CCC(O)CNN=CCC(=O)OC 4a_100015206393_200011552997 [0,2,0,0,0,0|1,0,1]=4 4112 B12R0.183 CCC(O)COCCNC(=O)OC 34a_100000757965_100011218378 [0,2,0,0,0,0|1,0,1]=4 4113 B12R0.183 CCC(O)COCCOC(=O)OC 34a_100010262106_100011218378 [0,2,0,0,0,0|1,0,1]=4 4114 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100000742655_100011218378 [0,2,0,0,0,0|0,0,0]=2 4115 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100011218378_100000742655 [0,2,0,0,0,0|0,0,0]=2 4116 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,2,0,0,0,0|0,0,2]=4 4117 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,2,0,0,0,0|0,0,2]=4 4118 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,2,0,0,0,0|0,0,2]=4 4119 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,2,0,0,0,0|0,0,2]=4 4120 B12R0.183 CCN(C)CCCSCC(=O)OC 62a_100000747449_100015186262 [0,2,0,0,0,0|1,0,1]=4 4121 B12R0.183 CC[C@H](C)COC/C=C/C(=O)OC 7a_100009816381_100000742655 [0,2,0,0,0,0|0,0,0]=2 4122 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,2,0,0,0,0|0,0,2]=4 4123 B12R0.183 CC[C@H](C)COCCNC(=O)OC 34a_100000757965_100009816398 [0,2,0,0,0,0|1,0,1]=4 4124 B12R0.183 CC[C@H](C)COCCOC(=O)OC 34a_100010262106_100009816398 [0,2,0,0,0,0|1,0,1]=4 4125 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100000742655_100009816398 [0,2,0,0,0,0|0,0,0]=2 4126 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100009816398_100000742655 [0,2,0,0,0,0|0,0,0]=2 4127 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,2,0,0,0,0|0,0,2]=4 4128 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,2,0,0,0,0|0,0,2]=4 4129 B12R0.183 CNC(=O)CNC/C=C/C(=O)OC 2230a_100000693194_100000742655 [0,2,0,0,0,0|1,0,1]=4 4130 B12R0.183 CNC(=O)COC/C=C/C(=O)OC 34a_100000750040_100000742655 [0,2,0,0,0,0|1,0,1]=4 4131 B12R0.183 CNC(=O)CSC/C=C/C(=O)OC 62a_100000183359_100000742655 [0,2,0,0,0,0|1,0,1]=4 4132 B12R0.183 CNC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000183359 [0,2,0,0,0,0|1,0,1]=4 4133 B12R0.183 COC(=O)/C=C/CNCC(C)CO 34a_100000744482_100000742655 [0,2,0,0,0,0|1,0,0]=3 4134 B12R0.183 COC(=O)/C=C/CNC[C@@H](C)OC 2230a_100020591295_100000742655 [0,2,0,0,0,0|1,0,0]=3 4135 B12R0.183 COC(=O)/C=C/CNC[C@@H](F)CO 34a_100015665980_100000742655 [0,2,0,0,0,0|1,0,0]=3 4136 B12R0.183 COC(=O)/C=C/CNC[C@H](O)CO 2230a_100020644852_100000742655 [0,2,0,0,0,0|1,0,0]=3 4137 B12R0.183 COC(=O)/C=C/COCC(C)CN 34a_100000744482_100000742655 [0,2,0,0,0,0|1,0,0]=3 4138 B12R0.183 COC(=O)/C=C/COCC(C)OC 34a_100000690652_100000742655 [0,2,0,0,0,0|1,0,0]=3 4139 B12R0.183 COC(=O)/C=C/COCC(Cl)CCl 34a_100000033668_100000742655 [0,2,0,0,0,0|1,0,0]=3 4140 B12R0.183 COC(=O)/C=C/COC[C@H](F)CN 34a_100015665980_100000742655 [0,2,0,0,0,0|1,0,0]=3 4141 B12R0.183 COC(=O)/C=C/CSCC(=O)OC 62a_100000742655_100000747449 [0,2,0,0,0,0|1,0,1]=4 4142 B12R0.183 COC(=O)/C=C/CSCC(=O)OC 62a_100000747449_100000742655 [0,2,0,0,0,0|1,0,1]=4 4143 B12R0.183 COC(=O)/C=C/CSCC(O)CO 62a_100000742655_100011219619 [0,2,0,0,0,0|1,0,0]=3 4144 B12R0.183 COC(=O)/C=C/CSCC(O)CO 62a_100011219619_100000742655 [0,2,0,0,0,0|1,0,0]=3 4145 B12R0.183 COC(=O)/C=C/CSC[C@@H](C)CO 62a_100000059175_100000742655 [0,2,0,0,0,0|1,0,0]=3 4146 B12R0.183 COC(=O)/C=C/CSC[C@@H](C)CO 62a_100000742655_100000059175 [0,2,0,0,0,0|1,0,0]=3 4147 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CF 62a_100000742655_100015614560 [0,2,0,0,0,0|1,0,0]=3 4148 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CF 62a_100015614560_100000742655 [0,2,0,0,0,0|1,0,0]=3 4149 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CO 62a_100000742655_100009815848 [0,2,0,0,0,0|1,0,0]=3 4150 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CO 62a_100009815848_100000742655 [0,2,0,0,0,0|1,0,0]=3 4151 B12R0.183 COC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000747449 [0,2,0,0,0,0|1,0,1]=4 4152 B12R0.184 C=C(Br)CCOC/C=C/C(=O)OC 34a_100009813270_100000742655 [0,2,0,0,0,0|0,0,2]=4 4153 B12R0.184 C=C(C)CCOC/C=C/C(=O)OC 34a_100000764851_100000742655 [0,2,0,0,0,0|0,0,1]=3 4154 B12R0.184 C=C(C)CCSC/C=C/C(=O)OC 62a_100000730704_100000742655 [0,2,0,0,0,0|0,0,1]=3 4155 B12R0.184 C=C(C)CCSC/C=C/C(=O)OC 62a_100000742655_100000730704 [0,2,0,0,0,0|0,0,1]=3 4156 B12R0.184 COC(=O)/C=C/CNCC=C(C)C 34a_100000718196_100000742655 [0,2,0,0,0,0|0,0,2]=4 4157 B12R0.184 COC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100000742655 [0,2,0,0,0,0|0,0,0]=2 4158 B12R0.184 COC(=O)/C=C/COCC=C(C)C 34a_100000753907_100000742655 [0,2,0,0,0,0|0,0,2]=4 4159 B12R0.184 COC(=O)/C=C/COCCC(=O)C 34a_100000759926_100000742655 [0,2,0,0,0,0|0,0,1]=3 4160 B12R0.184 COC(=O)/C=C/COCCC(=O)C 7a_100000759926_100000742655 [0,2,0,0,0,0|0,0,1]=3 4161 B12R0.184 COC(=O)/C=C/COCCC(=O)N 34a_100000757172_100000742655 [0,2,0,0,0,0|1,0,1]=4 4162 B12R0.184 COC(=O)/C=C/COCCC(=O)N 7a_100000757172_100000742655 [0,2,0,0,0,0|1,0,1]=4 4163 B12R0.184 COC(=O)/C=C/COCCC(C)Br 34a_100009893172_100000742655 [0,2,0,0,0,0|0,0,0]=2 4164 B12R0.184 COC(=O)/C=C/COCCC(C)C 34a_100000210254_100000742655 [0,2,0,0,0,0|0,0,0]=2 4165 B12R0.184 COC(=O)/C=C/COCCC(C)C 7a_100000210254_100000742655 [0,2,0,0,0,0|0,0,0]=2 4166 B12R0.184 COC(=O)/C=C/COCCC(F)F 34a_100103093639_100000742655 [0,2,0,0,0,0|1,0,0]=3 4167 B12R0.184 COC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100000742655 [0,2,0,0,0,0|0,0,0]=2 4168 B12R0.184 COC(=O)/C=C/CSCC=C(C)C 62a_100000742655_100000761012 [0,2,0,0,0,0|0,0,2]=4 4169 B12R0.184 COC(=O)/C=C/CSCC=C(C)C 62a_100000761012_100000742655 [0,2,0,0,0,0|0,0,2]=4 4170 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100000742655 [0,2,0,0,0,0|0,0,1]=3 4171 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000742655_100000053229 [0,2,0,0,0,0|0,0,1]=3 4172 B12R0.184 COC(=O)/C=C/CSCCC(=O)N 62a_100000742655_100000744528 [0,2,0,0,0,0|1,0,1]=4 4173 B12R0.184 COC(=O)/C=C/CSCCC(=O)N 62a_100000744528_100000742655 [0,2,0,0,0,0|1,0,1]=4 4174 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000210312_100000742655 [0,2,0,0,0,0|0,0,0]=2 4175 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000742655_100000210312 [0,2,0,0,0,0|0,0,0]=2 4176 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100000742655_100012276601 [0,2,0,0,0,0|0,0,0]=2 4177 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100012276601_100000742655 [0,2,0,0,0,0|0,0,0]=2 4178 B12R0.184 COC(=O)/C=C/CSCCN(C)C 62a_100000742655_100000755713 [0,2,0,0,0,0|1,0,0]=3 4179 B12R0.184 COC(=O)/C=C/CSCOC(=O)C 62a_100000076356_100000742655 [0,2,0,0,0,0|1,0,1]=4 4180 B12R0.184 COC(=O)/C=C/CSCOC(=O)C 62a_100000742655_100000076356 [0,2,0,0,0,0|1,0,1]=4 4181 B12R0.184 COC(=O)/C=C/CSCOC(C)C 62a_100000709892_100000742655 [0,2,0,0,0,0|1,0,0]=3 4182 B12R0.184 COC(=O)/C=C/CSCOC(C)C 62a_100000742655_100000709892 [0,2,0,0,0,0|1,0,0]=3 4183 B12R0.184 COC(=O)C=CC=NNCC(C)O 4a_200000730056_100016254430 [0,2,0,0,0,0|1,0,1]=4 4184 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,2,0,0,0,0|0,0,2]=4 4185 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,2,0,0,0,0|0,0,2]=4 4186 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,2,0,0,0,0|0,0,2]=4 4187 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [0,2,0,0,0,0|0,0,2]=4 4188 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [0,2,0,0,0,0|0,0,2]=4 4189 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [0,2,0,0,0,0|0,0,2]=4 4190 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [0,2,0,0,0,0|0,0,2]=4 4191 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [0,2,0,0,0,0|0,0,2]=4 4192 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [0,2,0,0,0,0|0,0,2]=4 4193 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [0,2,0,0,0,0|0,0,2]=4 4194 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [0,2,0,0,0,0|0,0,2]=4 4195 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [0,2,0,0,0,0|0,0,2]=4 4196 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [0,2,0,0,0,0|0,0,2]=4 4197 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [0,2,0,0,0,0|0,0,2]=4 4198 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,2,0,0,0,0|0,0,2]=4 4199 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,2,0,0,0,0|0,0,2]=4 4200 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [0,2,0,0,0,0|0,0,2]=4 4201 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [0,2,0,0,0,0|0,0,2]=4 4202 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [0,2,0,0,0,0|0,0,2]=4 4203 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [0,2,0,0,0,0|0,0,2]=4 4204 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [0,2,0,0,0,0|0,0,2]=4 4205 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,2,0,0,0,0|0,0,2]=4 4206 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,2,0,0,0,0|0,0,2]=4 4207 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [0,2,0,0,0,0|0,0,2]=4 4208 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [0,2,0,0,0,0|0,0,2]=4 4209 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,2,0,0,0,0|0,0,2]=4 4210 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,2,0,0,0,0|0,0,2]=4 4211 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [0,2,0,0,0,0|0,0,2]=4 4212 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [0,2,0,0,0,0|0,0,2]=4 4213 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,2,0,0,0,0|0,0,2]=4 4214 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,2,0,0,0,0|0,0,2]=4 4215 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,2,0,0,0,0|0,0,2]=4 4216 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,2,0,0,0,0|0,0,2]=4 4217 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,2,0,0,0,0|0,0,2]=4 4218 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,2,0,0,0,0|0,0,2]=4 4219 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,2,0,0,0,0|0,0,2]=4 4220 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,2,0,0,0,0|0,0,2]=4 4221 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,2,0,0,0,0|0,0,2]=4 4222 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [0,2,0,0,0,0|0,0,2]=4 4223 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [0,2,0,0,0,0|0,0,2]=4 4224 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,2,0,0,0,0|0,0,2]=4 4225 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,2,0,0,0,0|0,0,2]=4 4226 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [0,2,0,0,0,0|0,0,2]=4 4227 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [0,2,0,0,0,0|0,0,2]=4 4228 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,2,0,0,0,0|0,0,2]=4 4229 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,2,0,0,0,0|0,0,2]=4 4230 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [0,2,0,0,0,0|0,0,2]=4 4231 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [0,2,0,0,0,0|0,0,2]=4 4232 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,2,0,0,0,0|0,0,2]=4 4233 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,2,0,0,0,0|0,0,2]=4 4234 B12R0.184 COC(=O)CNCCCOC(C)C 2230a_100000737246_100000747449 [0,2,0,0,0,0|1,0,1]=4 4235 B12R0.184 COC(=O)CNCCCOC(C)C 34a_100000737246_100000747449 [0,2,0,0,0,0|1,0,1]=4 4236 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,2,0,0,0,0|0,0,2]=4 4237 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,2,0,0,0,0|0,0,2]=4 4238 B12R0.184 COC(=O)COCCCNC(C)C 34a_100000182298_100000747449 [0,2,0,0,0,0|1,0,1]=4 4239 B12R0.184 COC(=O)COCCNCC(C)C 2230a_100000210953_100000090808 [0,2,0,0,0,0|1,0,1]=4 4240 B12R0.184 COC(=O)COCCNCC(C)C 34a_100000210953_100000090808 [0,2,0,0,0,0|1,0,1]=4 4241 B12R0.184 COC(=O)COCCNCC(C)C 34a_100015185251_100000747449 [0,2,0,0,0,0|1,0,1]=4 4242 B12R0.184 COC(=O)COCCNCC(C)O 2230a_100000210904_100000090808 [0,2,0,0,0,0|1,0,1]=4 4243 B12R0.184 COC(=O)COCCNCC(C)O 34a_100000210904_100000090808 [0,2,0,0,0,0|1,0,1]=4 4244 B12R0.184 COC(=O)COCCOCC(C)Br 34a_100012180447_100000090808 [0,2,0,0,0,0|1,0,1]=4 4245 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000210257_100000090808 [0,2,0,0,0,0|1,0,1]=4 4246 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000703358_100000747449 [0,2,0,0,0,0|1,0,1]=4 4247 B12R0.184 COC(=O)COCCOCC(C)C 7a_100000703358_100000747449 [0,2,0,0,0,0|1,0,1]=4 4248 B12R0.184 COC(=O)COCCOCC(C)F 34a_100015925927_100000090808 [0,2,0,0,0,0|1,0,1]=4 4249 B12R0.184 COC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000090808 [0,2,0,0,0,0|1,0,1]=4 4250 B12R0.184 COC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000090808 [0,2,0,0,0,0|1,0,1]=4 4251 B12R0.184 COC(=O)COCCSCC(C)C 34a_200000230437_100000747449 [0,2,0,0,0,0|1,0,1]=4 4252 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000090808_100000210760 [0,2,0,0,0,0|1,0,1]=4 4253 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000210624_100000090808 [0,2,0,0,0,0|1,0,1]=4 4254 B12R0.184 COC(=O)COCCSCC(C)C 7a_200000230437_100000747449 [0,2,0,0,0,0|1,0,1]=4 4255 B12R0.184 COC(=O)COCCSCC(C)O 62a_100000090808_100011218427 [0,2,0,0,0,0|1,0,1]=4 4256 B12R0.184 COC(=O)COCCSCC(C)O 62a_100011218427_100000090808 [0,2,0,0,0,0|1,0,1]=4 4257 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100000090808_100009817552 [0,2,0,0,0,0|1,0,1]=4 4258 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000090808 [0,2,0,0,0,0|1,0,1]=4 4259 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,2,0,0,0,0|1,0,1]=4 4260 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,2,0,0,0,0|1,0,1]=4 4261 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,2,0,0,0,0|0,0,2]=4 4262 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,2,0,0,0,0|0,0,2]=4 4263 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [0,2,0,0,0,0|1,0,1]=4 4264 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [0,2,0,0,0,0|1,0,1]=4 4265 B12R0.184 COC(=O)NCCOCCC(C)O 34a_100000757965_100012276601 [0,2,0,0,0,0|1,0,1]=4 4266 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [0,2,0,0,0,0|1,0,1]=4 4267 B12R0.184 COC(=O)OCCOCCC(C)O 34a_100010262106_100012276601 [0,2,0,0,0,0|1,0,1]=4 4268 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [0,2,0,0,0,0|1,0,1]=4 4269 B12R0.184 COC(=O)OCSCCCC(C)O 62a_200000718107_100000139417 [0,2,0,0,0,0|1,0,1]=4 4270 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,2,0,0,0,0|1,0,1]=4 4271 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,2,0,0,0,0|1,0,1]=4 4272 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,2,0,0,0,0|1,0,1]=4 4273 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,2,0,0,0,0|1,0,1]=4 4274 B12R0.248 C#CCCCNC/C=C/C(=O)OC 34a_100000718082_100000742655 [0,2,0,0,0,0|0,0,1]=3 4275 B12R0.248 C#CCCCOC/C=C/C(=O)OC 34a_100000215630_100000742655 [0,2,0,0,0,0|0,0,1]=3 4276 B12R0.248 C#CCCCOC/C=C/C(=O)OC 7a_100000215630_100000742655 [0,2,0,0,0,0|0,0,1]=3 4277 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100000742655_100011215417 [0,2,0,0,0,0|0,0,1]=3 4278 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100011215417_100000742655 [0,2,0,0,0,0|0,0,1]=3 4279 B12R0.248 C/C=C/CCOC/C=C/C(=O)OC 34a_100016278192_100000742655 [0,2,0,0,0,0|0,0,1]=3 4280 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,2,0,0,0,0|1,0,1]=4 4281 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,2,0,0,0,0|1,0,1]=4 4282 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,2,0,0,0,0|1,0,1]=4 4283 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,2,0,0,0,0|1,0,1]=4 4284 B12R0.248 C=CCCCNC/C=C/C(=O)OC 2230a_100000700776_100000742655 [0,2,0,0,0,0|0,0,1]=3 4285 B12R0.248 C=CCCCNC/C=C/C(=O)OC 34a_100000700776_100000742655 [0,2,0,0,0,0|0,0,1]=3 4286 B12R0.248 C=CCCCOC/C=C/C(=O)OC 34a_100000758997_100000742655 [0,2,0,0,0,0|0,0,1]=3 4287 B12R0.248 C=CCCCOC/C=C/C(=O)OC 7a_100000758997_100000742655 [0,2,0,0,0,0|0,0,1]=3 4288 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100000742655_100000757094 [0,2,0,0,0,0|0,0,1]=3 4289 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100011713584_100000742655 [0,2,0,0,0,0|0,0,1]=3 4290 B12R0.248 C=COCCOC/C=C/C(=O)OC 34a_100000033082_100000742655 [0,2,0,0,0,0|0,0,2]=4 4291 B12R0.248 C=COCCSC/C=C/C(=O)OC 62a_100000039644_100000742655 [0,2,0,0,0,0|0,0,2]=4 4292 B12R0.248 C=COCCSC/C=C/C(=O)OC 62a_100000742655_100000039644 [0,2,0,0,0,0|0,0,2]=4 4293 B12R0.248 CC#CCCOC/C=C/C(=O)OC 34a_100000750427_100000742655 [0,2,0,0,0,0|0,0,1]=3 4294 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,2,0,0,0,0|1,0,1]=4 4295 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,2,0,0,0,0|1,0,1]=4 4296 B12R0.248 CC/C=C\COC/C=C/C(=O)OC 34a_100016268518_100000742655 [0,2,0,0,0,0|0,0,1]=3 4297 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100000742655_100103147603 [0,2,0,0,0,0|0,0,1]=3 4298 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100103147603_100000742655 [0,2,0,0,0,0|0,0,1]=3 4299 B12R0.248 CCC#CCOC/C=C/C(=O)OC 34a_100000032950_100000742655 [0,2,0,0,0,0|0,0,1]=3 4300 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100000742655_100009813939 [0,2,0,0,0,0|0,0,1]=3 4301 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100009813939_100000742655 [0,2,0,0,0,0|0,0,1]=3 4302 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,2,0,0,0,0|1,0,1]=4 4303 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,2,0,0,0,0|1,0,1]=4 4304 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,2,0,0,0,0|0,0,2]=4 4305 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,2,0,0,0,0|0,0,2]=4 4306 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,2,0,0,0,0|1,0,1]=4 4307 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,2,0,0,0,0|1,0,1]=4 4308 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|1,0,0]=3 4309 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|2,0,0]=4 4310 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|1,0,0]=3 4311 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 4312 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 4313 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 4314 B12R0.248 CCCCC=CC=NNC(=O)CC 4a_100000183195_100016268198 [0,2,0,0,0,0|1,0,1]=4 4315 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|1,0,0]=3 4316 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|2,0,0]=4 4317 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|1,0,0]=3 4318 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|1,0,0]=3 4319 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|1,0,0]=3 4320 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,2,0,0,0,0|1,0,1]=4 4321 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|1,0,0]=3 4322 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|2,0,0]=4 4323 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|1,0,0]=3 4324 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 4325 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 4326 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|0,0,2]=4 4327 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|0,0,2]=4 4328 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|0,0,2]=4 4329 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|0,0,2]=4 4330 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|0,0,2]=4 4331 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|0,0,2]=4 4332 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|0,0,2]=4 4333 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|0,0,2]=4 4334 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|0,0,2]=4 4335 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|0,0,2]=4 4336 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,2,0,0,0,0|0,0,2]=4 4337 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,2,0,0,0,0|0,0,0]=2 4338 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|0,0,2]=4 4339 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,2,0,0,0,0|0,0,1]=3 4340 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,2,0,0,0,0|0,0,0]=2 4341 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,2,0,0,0,0|0,0,0]=2 4342 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|0,0,2]=4 4343 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|0,0,2]=4 4344 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,2,0,0,0,0|0,0,2]=4 4345 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,2,0,0,0,0|0,0,2]=4 4346 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,2,0,0,0,0|0,0,0]=2 4347 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,2,0,0,0,0|0,0,0]=2 4348 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|0,0,2]=4 4349 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|0,0,2]=4 4350 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|0,0,2]=4 4351 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|0,0,2]=4 4352 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,2,0,0,0,0|0,0,2]=4 4353 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,2,0,0,0,0|0,0,2]=4 4354 B12R0.248 CCCCNN=CC=CC(=O)OC 4a_100025702795_100016254430 [0,2,0,0,0,0|0,0,1]=3 4355 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,2,0,0,0,0|1,0,1]=4 4356 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|0,0,2]=4 4357 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|0,0,2]=4 4358 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|0,0,2]=4 4359 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|0,0,2]=4 4360 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,2,0,0,0,0|0,0,2]=4 4361 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,2,0,0,0,0|0,0,2]=4 4362 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,2,0,0,0,0|0,0,2]=4 4363 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,2,0,0,0,0|0,0,2]=4 4364 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,2,0,0,0,0|0,0,2]=4 4365 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,2,0,0,0,0|0,0,2]=4 4366 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,2,0,0,0,0|0,0,2]=4 4367 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,2,0,0,0,0|0,0,2]=4 4368 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,2,0,0,0,0|1,0,1]=4 4369 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|0,0,2]=4 4370 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|0,0,2]=4 4371 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,2,0,0,0,0|0,0,2]=4 4372 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,2,0,0,0,0|0,0,2]=4 4373 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,2,0,0,0,0|0,0,2]=4 4374 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,2,0,0,0,0|0,0,2]=4 4375 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,2,0,0,0,0|0,0,2]=4 4376 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|0,0,2]=4 4377 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|0,0,2]=4 4378 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|0,0,2]=4 4379 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,2,0,0,0,0|0,0,2]=4 4380 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,2,0,0,0,0|0,0,2]=4 4381 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,2,0,0,0,0|0,0,2]=4 4382 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,2,0,0,0,0|0,0,2]=4 4383 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,2,0,0,0,0|0,0,2]=4 4384 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,2,0,0,0,0|0,0,2]=4 4385 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,2,0,0,0,0|0,0,2]=4 4386 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,2,0,0,0,0|0,0,2]=4 4387 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,2,0,0,0,0|1,0,1]=4 4388 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|0,0,2]=4 4389 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|0,0,2]=4 4390 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,2,0,0,0,0|0,0,2]=4 4391 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,2,0,0,0,0|0,0,2]=4 4392 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,2,0,0,0,0|0,0,2]=4 4393 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|0,0,2]=4 4394 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|0,0,2]=4 4395 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|0,0,2]=4 4396 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|0,0,2]=4 4397 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,2,0,0,0,0|0,0,2]=4 4398 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,2,0,0,0,0|0,0,2]=4 4399 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,2,0,0,0,0|0,0,2]=4 4400 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,2,0,0,0,0|0,0,2]=4 4401 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,2,0,0,0,0|0,0,2]=4 4402 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,2,0,0,0,0|0,0,2]=4 4403 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,2,0,0,0,0|1,0,1]=4 4404 B12R0.248 CCOCCNC/C=C/C(=O)OC 2230a_102516460346_100000742655 [0,2,0,0,0,0|0,0,0]=2 4405 B12R0.248 CCOCCNC/C=C/C(=O)OC 34a_102516460346_100000742655 [0,2,0,0,0,0|0,0,0]=2 4406 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,2,0,0,0,0|0,0,2]=4 4407 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,2,0,0,0,0|0,0,2]=4 4408 B12R0.248 CCOCCNN=CCC(=O)OC 4a_100000732670_200011552997 [0,2,0,0,0,0|1,0,1]=4 4409 B12R0.248 CCOCCOC/C=C/C(=O)OC 34a_100000210136_100000742655 [0,2,0,0,0,0|0,0,0]=2 4410 B12R0.248 CCOCCOC/C=C/C(=O)OC 7a_100000210136_100000742655 [0,2,0,0,0,0|0,0,0]=2 4411 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,2,0,0,0,0|0,0,2]=4 4412 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,2,0,0,0,0|0,0,2]=4 4413 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,2,0,0,0,0|1,0,1]=4 4414 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,2,0,0,0,0|1,0,1]=4 4415 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000210147_100000742655 [0,2,0,0,0,0|0,0,0]=2 4416 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215890 [0,2,0,0,0,0|0,0,0]=2 4417 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,2,0,0,0,0|0,0,2]=4 4418 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,2,0,0,0,0|0,0,2]=4 4419 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,2,0,0,0,0|0,0,2]=4 4420 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,2,0,0,0,0|0,0,2]=4 4421 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,2,0,0,0,0|1,0,1]=4 4422 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,2,0,0,0,0|1,0,1]=4 4423 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|0,0,2]=4 4424 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|0,0,2]=4 4425 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,2,0,0,0,0|0,0,2]=4 4426 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,2,0,0,0,0|0,0,2]=4 4427 B12R0.248 CCSCCNC/C=C/C(=O)OC 2230a_100000106463_100000742655 [0,2,0,0,0,0|0,0,0]=2 4428 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,2,0,0,0,0|0,0,2]=4 4429 B12R0.248 CCSCCOC/C=C/C(=O)OC 34a_100000212035_100000742655 [0,2,0,0,0,0|0,0,0]=2 4430 B12R0.248 CCSCCOC/C=C/C(=O)OC 7a_100000212035_100000742655 [0,2,0,0,0,0|0,0,0]=2 4431 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,2,0,0,0,0|0,0,2]=4 4432 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,2,0,0,0,0|0,0,2]=4 4433 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,2,0,0,0,0|1,0,1]=4 4434 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,2,0,0,0,0|1,0,1]=4 4435 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000742655_100000757381 [0,2,0,0,0,0|0,0,0]=2 4436 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000757381_100000742655 [0,2,0,0,0,0|0,0,0]=2 4437 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,2,0,0,0,0|0,0,2]=4 4438 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,2,0,0,0,0|0,0,2]=4 4439 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|0,0,2]=4 4440 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|0,0,2]=4 4441 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|0,0,2]=4 4442 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,2,0,0,0,0|0,0,2]=4 4443 B12R0.248 CNCCCOC/C=C/C(=O)OC 34a_100000213112_100000742655 [0,2,0,0,0,0|0,0,0]=2 4444 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,2,0,0,0,0|0,0,2]=4 4445 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,2,0,0,0,0|1,0,1]=4 4446 B12R0.248 COC(=O)/C=C/CNCCCCO 2230a_100000750430_100000742655 [0,2,0,0,0,0|0,0,0]=2 4447 B12R0.248 COC(=O)/C=C/CNCCCCO 34a_100000750430_100000742655 [0,2,0,0,0,0|0,0,0]=2 4448 B12R0.248 COC(=O)/C=C/CNCCCSC 2230a_100000749238_100000742655 [0,2,0,0,0,0|0,0,0]=2 4449 B12R0.248 COC(=O)/C=C/COCC#CCCl 34a_200000047223_100000742655 [0,2,0,0,0,0|0,0,2]=4 4450 B12R0.248 COC(=O)/C=C/COCCCCBr 34a_100011216708_100000742655 [0,2,0,0,0,0|0,0,0]=2 4451 B12R0.248 COC(=O)/C=C/COCCCCCl 34a_100000210776_100000742655 [0,2,0,0,0,0|0,0,0]=2 4452 B12R0.248 COC(=O)/C=C/COCCCCCl 7a_100000210776_100000742655 [0,2,0,0,0,0|0,0,0]=2 4453 B12R0.248 COC(=O)/C=C/COCCCCF 34a_100011995726_100000742655 [0,2,0,0,0,0|0,0,0]=2 4454 B12R0.248 COC(=O)/C=C/COCCCCF 7a_100011995726_100000742655 [0,2,0,0,0,0|0,0,0]=2 4455 B12R0.248 COC(=O)/C=C/COCCCCI 34a_200012148704_100000742655 [0,2,0,0,0,0|0,0,0]=2 4456 B12R0.248 COC(=O)/C=C/COCCCCN 34a_100000750430_100000742655 [0,2,0,0,0,0|0,0,0]=2 4457 B12R0.248 COC(=O)/C=C/COCCCSC 34a_100000690336_100000742655 [0,2,0,0,0,0|0,0,0]=2 4458 B12R0.248 COC(=O)/C=C/COCCCSC 7a_100000690336_100000742655 [0,2,0,0,0,0|0,0,0]=2 4459 B12R0.248 COC(=O)/C=C/CSCC#CCO 62a_100000742655_200000047223 [0,2,0,0,0,0|0,0,2]=4 4460 B12R0.248 COC(=O)/C=C/CSCC#CCO 62a_200000047223_100000742655 [0,2,0,0,0,0|0,0,2]=4 4461 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000687738_100000742655 [0,2,0,0,0,0|0,0,1]=3 4462 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000742655_100000687738 [0,2,0,0,0,0|0,0,1]=3 4463 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_100000742655_200011292268 [0,2,0,0,0,0|0,0,1]=3 4464 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_200011292268_100000742655 [0,2,0,0,0,0|0,0,1]=3 4465 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000729493_100000742655 [0,2,0,0,0,0|0,0,0]=2 4466 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000742655_100000729493 [0,2,0,0,0,0|0,0,0]=2 4467 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000210776_100000742655 [0,2,0,0,0,0|0,0,0]=2 4468 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000742655_100000210776 [0,2,0,0,0,0|0,0,0]=2 4469 B12R0.248 COC(=O)/C=C/CSCCSC#N 62a_100000034367_100000742655 [0,2,0,0,0,0|1,0,1]=4 4470 B12R0.248 COC(=O)/C=C/CSCCSC#N 62a_100000742655_100000034367 [0,2,0,0,0,0|1,0,1]=4 4471 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|0,0,2]=4 4472 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|0,0,2]=4 4473 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|0,0,2]=4 4474 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|0,0,2]=4 4475 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|0,0,2]=4 4476 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|0,0,2]=4 4477 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,2,0,0,0,0|0,0,2]=4 4478 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,2,0,0,0,0|0,0,2]=4 4479 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,2,0,0,0,0|0,0,2]=4 4480 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,2,0,0,0,0|0,0,2]=4 4481 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,2,0,0,0,0|0,0,2]=4 4482 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,2,0,0,0,0|0,0,2]=4 4483 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,2,0,0,0,0|0,0,2]=4 4484 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,2,0,0,0,0|0,0,2]=4 4485 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,2,0,0,0,0|0,0,2]=4 4486 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,2,0,0,0,0|0,0,2]=4 4487 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,2,0,0,0,0|0,0,2]=4 4488 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,2,0,0,0,0|0,0,2]=4 4489 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,2,0,0,0,0|0,0,2]=4 4490 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,2,0,0,0,0|0,0,2]=4 4491 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,2,0,0,0,0|0,0,2]=4 4492 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,2,0,0,0,0|0,0,2]=4 4493 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,2,0,0,0,0|0,0,2]=4 4494 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,2,0,0,0,0|0,0,2]=4 4495 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,2,0,0,0,0|0,0,2]=4 4496 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,2,0,0,0,0|0,0,2]=4 4497 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,2,0,0,0,0|0,0,2]=4 4498 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,2,0,0,0,0|0,0,2]=4 4499 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,2,0,0,0,0|0,0,2]=4 4500 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,2,0,0,0,0|0,0,2]=4 4501 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,2,0,0,0,0|0,0,2]=4 4502 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,2,0,0,0,0|0,0,2]=4 4503 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,2,0,0,0,0|0,0,2]=4 4504 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,2,0,0,0,0|0,0,2]=4 4505 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,2,0,0,0,0|0,0,2]=4 4506 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,2,0,0,0,0|0,0,2]=4 4507 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,2,0,0,0,0|0,0,2]=4 4508 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,2,0,0,0,0|0,0,2]=4 4509 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,2,0,0,0,0|0,0,2]=4 4510 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,2,0,0,0,0|0,0,2]=4 4511 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,2,0,0,0,0|0,0,2]=4 4512 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,2,0,0,0,0|0,0,2]=4 4513 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,2,0,0,0,0|0,0,2]=4 4514 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,2,0,0,0,0|0,0,2]=4 4515 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,2,0,0,0,0|0,0,2]=4 4516 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,2,0,0,0,0|0,0,2]=4 4517 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,2,0,0,0,0|0,0,2]=4 4518 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,2,0,0,0,0|0,0,2]=4 4519 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,2,0,0,0,0|0,0,2]=4 4520 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,2,0,0,0,0|0,0,2]=4 4521 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,2,0,0,0,0|0,0,2]=4 4522 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,2,0,0,0,0|0,0,2]=4 4523 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,2,0,0,0,0|0,0,2]=4 4524 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,2,0,0,0,0|0,0,2]=4 4525 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,2,0,0,0,0|0,0,2]=4 4526 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,2,0,0,0,0|0,0,2]=4 4527 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,2,0,0,0,0|0,0,2]=4 4528 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,2,0,0,0,0|0,0,2]=4 4529 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,2,0,0,0,0|0,0,2]=4 4530 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,2,0,0,0,0|0,0,2]=4 4531 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,2,0,0,0,0|0,0,2]=4 4532 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,2,0,0,0,0|0,0,2]=4 4533 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,2,0,0,0,0|0,0,2]=4 4534 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,2,0,0,0,0|0,0,2]=4 4535 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,2,0,0,0,0|0,0,2]=4 4536 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,2,0,0,0,0|0,0,2]=4 4537 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,2,0,0,0,0|0,0,2]=4 4538 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,2,0,0,0,0|0,0,2]=4 4539 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,2,0,0,0,0|0,0,2]=4 4540 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,2,0,0,0,0|0,0,2]=4 4541 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,2,0,0,0,0|0,0,2]=4 4542 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,2,0,0,0,0|0,0,2]=4 4543 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,2,0,0,0,0|0,0,2]=4 4544 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,2,0,0,0,0|0,0,2]=4 4545 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,2,0,0,0,0|0,0,2]=4 4546 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,2,0,0,0,0|0,0,2]=4 4547 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,2,0,0,0,0|0,0,2]=4 4548 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,2,0,0,0,0|0,0,2]=4 4549 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|0,0,2]=4 4550 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|0,0,2]=4 4551 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,2,0,0,0,0|0,0,2]=4 4552 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,2,0,0,0,0|0,0,2]=4 4553 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,2,0,0,0,0|0,0,2]=4 4554 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,2,0,0,0,0|0,0,2]=4 4555 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,2,0,0,0,0|0,0,2]=4 4556 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,2,0,0,0,0|0,0,2]=4 4557 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|0,0,2]=4 4558 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,2,0,0,0,0|1,0,1]=4 4559 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,2,0,0,0,0|1,0,1]=4 4560 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,2,0,0,0,0|1,0,1]=4 4561 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,2,0,0,0,0|1,0,1]=4 4562 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,2,0,0,0,0|1,0,1]=4 4563 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,2,0,0,0,0|1,0,1]=4 4564 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,2,0,0,0,0|1,0,1]=4 4565 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,2,0,0,0,0|1,0,1]=4 4566 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,2,0,0,0,0|1,0,1]=4 4567 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,2,0,0,0,0|1,0,1]=4 4568 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,2,0,0,0,0|1,0,1]=4 4569 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,2,0,0,0,0|1,0,1]=4 4570 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,2,0,0,0,0|1,0,1]=4 4571 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,2,0,0,0,0|1,0,1]=4 4572 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,2,0,0,0,0|1,0,1]=4 4573 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,2,0,0,0,0|1,0,1]=4 4574 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,2,0,0,0,0|1,0,1]=4 4575 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,2,0,0,0,0|1,0,1]=4 4576 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,2,0,0,0,0|1,0,1]=4 4577 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,2,0,0,0,0|1,0,1]=4 4578 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,2,0,0,0,0|1,0,1]=4 4579 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,2,0,0,0,0|0,0,2]=4 4580 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,2,0,0,0,0|0,0,2]=4 4581 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|0,0,2]=4 4582 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|0,0,2]=4 4583 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,2,0,0,0,0|1,0,1]=4 4584 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,2,0,0,0,0|1,0,1]=4 4585 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,2,0,0,0,0|1,0,1]=4 4586 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,2,0,0,0,0|1,0,1]=4 4587 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,2,0,0,0,0|1,0,1]=4 4588 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,2,0,0,0,0|1,0,1]=4 4589 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|0,0,2]=4 4590 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|0,0,2]=4 4591 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|0,0,2]=4 4592 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,2,0,0,0,0|0,0,2]=4 4593 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,2,0,0,0,0|0,0,2]=4 4594 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,2,0,0,0,0|0,0,2]=4 4595 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,2,0,0,0,0|0,0,2]=4 4596 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,2,0,0,0,0|0,0,2]=4 4597 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,2,0,0,0,0|1,0,1]=4 4598 B12R0.248 COCCCNC/C=C/C(=O)OC 34a_100150723488_100000742655 [0,2,0,0,0,0|0,0,0]=2 4599 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,2,0,0,0,0|0,0,2]=4 4600 B12R0.248 COCCCOC/C=C/C(=O)OC 34a_100000740835_100000742655 [0,2,0,0,0,0|0,0,0]=2 4601 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,2,0,0,0,0|0,0,2]=4 4602 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,2,0,0,0,0|1,0,1]=4 4603 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,2,0,0,0,0|1,0,1]=4 4604 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000709357_100000742655 [0,2,0,0,0,0|0,0,0]=2 4605 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000742655_100000709357 [0,2,0,0,0,0|0,0,0]=2 4606 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,2,0,0,0,0|0,0,2]=4 4607 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,2,0,0,0,0|0,0,2]=4 4608 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,2,0,0,0,0|0,0,2]=4 4609 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,2,0,0,0,0|1,0,1]=4 4610 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,2,0,0,0,0|0,0,2]=4 4611 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,2,0,0,0,0|0,0,2]=4 4612 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,2,0,0,0,0|0,0,2]=4 4613 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,2,0,0,0,0|1,0,1]=4 4614 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,2,0,0,0,0|1,0,1]=4 4615 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,2,0,0,0,0|1,0,1]=4 4616 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,2,0,0,0,0|1,0,1]=4 4617 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,2,0,0,0,0|1,0,1]=4 4618 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,2,0,0,0,0|1,0,1]=4 4619 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,2,0,0,0,0|1,0,1]=4 4620 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,2,0,0,0,0|1,0,1]=4 4621 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,2,0,0,0,0|1,0,1]=4 4622 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,2,0,0,0,0|0,0,2]=4 4623 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,2,0,0,0,0|0,0,2]=4 4624 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,2,0,0,0,0|1,0,1]=4 4625 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,2,0,0,0,0|1,0,1]=4 4626 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,2,0,0,0,0|0,0,2]=4 4627 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,2,0,0,0,0|0,0,2]=4 4628 B12R0.251 CCCCC/C=C/CC(=O)C(C)C 1458a_100020675968_100000210206 [0,2,0,0,0,0|1,0,0]=3 4629 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020675968 [0,2,0,0,0,0|1,0,0]=3 4630 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020675968 [0,2,0,0,0,0|1,0,0]=3 4631 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020675968 [0,2,0,0,0,0|1,0,0]=3 4632 B12R0.251 CCCCCC=NNC(=O)C(C)C 4a_100000184118_100000737632 [0,2,0,0,0,0|2,0,0]=4 4633 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [0,2,0,0,0,0|1,0,0]=3 4634 B12R0.251 CCCCCCC=CC(=O)N(C)C 11a_100102631434_200015324643 [0,2,0,0,0,0|1,0,0]=3 4635 B12R0.251 CCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015324643 [0,2,0,0,0,0|1,0,0]=3 4636 B12R0.251 CCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015324643 [0,2,0,0,0,0|1,0,0]=3 4637 B12R0.46 CCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210757 [0,2,0,0,0,0|1,0,1]=4 4638 B12R0.46 CCCCCNC(=O)C(=O)N(C)C 1626a_100000209983_100011218876 [0,2,0,0,0,0|2,0,0]=4 4639 B12R0.46 CCCCCNC(=O)C(=O)N(C)C 240690a_100000209983_100011218876 [0,2,0,0,0,0|2,0,0]=4 4640 B12R0.46 CCCCCNC(=O)C(=O)N(C)C 527a_100000209983_100011218876 [0,2,0,0,0,0|2,0,0]=4 4641 B12R0.48 CCCCC(=O)C=CC(=O)N(C)C 1458a_100011200747_100000210211 [0,2,0,0,0,0|1,0,1]=4 4642 B12R0.123 C=C(C)C(=O)CC(=O)CCCCC 1458a_100000185857_200012276598 [0,2,0,0,0,0|1,0,1]=4 4643 B12R0.123 CCCCCC(=O)CC(=O)C(=O)C 1458a_100000212188_100011261029 [0,2,0,0,0,0|1,0,1]=4 4644 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000210198_200012276598 [0,2,0,0,0,0|1,0,1]=4 4645 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000212188_100000753385 [0,2,0,0,0,0|1,0,1]=4 4646 B12R0.123 CCCCCC(=O)CC(=O)C(C)F 1458a_100000062450_200012276598 [0,2,0,0,0,0|1,0,1]=4 4647 B12R0.123 CCCCCC(=O)CC(=O)N(C)C 1458a_100000212188_100000185267 [0,2,0,0,0,0|1,0,1]=4 4648 B12R0.123 CCCCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200012276598 [0,2,0,0,0,0|1,0,1]=4 4649 B12R0.123 CCCCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200012276598 [0,2,0,0,0,0|1,0,1]=4 4650 B12R0.186 COC(=O)/C=C/CNC(C)C(C)C 2230a_100000211541_100000742655 [0,2,0,0,0,0|1,0,0]=3 4651 B12R0.186 COC(=O)/C=C/COC(C)C(=O)C 34a_100000212229_100000742655 [0,2,0,0,0,0|1,0,1]=4 4652 B12R0.186 COC(=O)/C=C/COC(C)C(C)C 7a_100000748068_100000742655 [0,2,0,0,0,0|1,0,0]=3 4653 B12R0.186 COC(=O)/C=C/CSC(C)C(=O)C 62a_100000742655_100009814033 [0,2,0,0,0,0|1,0,1]=4 4654 B12R0.186 COC(=O)/C=C/CSC(C)C(=O)C 62a_100009814033_100000742655 [0,2,0,0,0,0|1,0,1]=4 4655 B12R0.186 COC(=O)COCCC(N)C(C)C 34a_100161115045_100000747449 [0,2,0,0,0,0|1,0,1]=4 4656 B12R0.237 CCCCCC=CC(=O)C(F)(F)F 1458a_100016263427_200000243211 [0,2,0,0,0,0|2,0,0]=4 4657 B12R0.131 CCC(C)(C)NC/C=C/C(=O)OC 2230a_100000211385_100000742655 [0,2,0,0,0,0|1,0,0]=3 4658 B12R0.131 CCC(C)(C)OC/C=C/C(=O)OC 7a_100000210230_100000742655 [0,2,0,0,0,0|1,0,0]=3 4659 B12R0.131 CCC(C)(C)SC/C=C/C(=O)OC 62a_100000032637_100000742655 [0,2,0,0,0,0|1,0,0]=3 4660 B12R0.131 CCC(C)(C)SC/C=C/C(=O)OC 62a_100000742655_100000032637 [0,2,0,0,0,0|1,0,0]=3 4661 B12R0.131 COC(=O)/C=C/CNC(C)(C)CO 2230a_100000210608_100000742655 [0,2,0,0,0,0|2,0,0]=4 4662 B12R0.131 COC(=O)/C=C/COC(C)(C)CCl 7a_100000764493_100000742655 [0,2,0,0,0,0|2,0,0]=4 4663 B12R0.131 COC(=O)/C=C/CSC(F)(F)CO 62a_100000742655_100011217949 [0,2,0,0,0,0|2,0,0]=4 4664 B12R0.131 COC(=O)/C=C/CSC(F)(F)CO 62a_100011217949_100000742655 [0,2,0,0,0,0|2,0,0]=4 4665 B12R0.134 CCCCC(C)NC(=O)C(=O)NC 1626a_100000126638_100011218921 [0,2,0,0,0,0|2,0,0]=4 4666 B12R0.134 CCCCC(C)NC(=O)C(=O)NC 240690a_100000126638_100011218921 [0,2,0,0,0,0|2,0,0]=4 4667 B12R0.134 CCCCC(C)NC(=O)C(=O)NC 527a_100000126638_100011218921 [0,2,0,0,0,0|2,0,0]=4 4668 B12R0.134 CCCCC(C)NC(=O)C(=O)OC 11a_100000126638_100000024059 [0,2,0,0,0,0|1,0,0]=3 4669 B12R0.134 CCCCC(C)NC(=O)C(=O)OC 1626a_100000126638_100000024059 [0,2,0,0,0,0|1,0,0]=3 4670 B12R0.134 CCCCC(C)NC(=O)C(=O)OC 240690a_100000126638_100000024059 [0,2,0,0,0,0|1,0,0]=3 4671 B12R0.134 CCCCC(C)NC(=O)C(=O)OC 527a_100000126638_100000024059 [0,2,0,0,0,0|1,0,0]=3 4672 B12R0.134 CCCCC(C)NC(C)C(=O)OC 2230a_100000126638_100000211248 [0,2,0,0,0,0|1,0,1]=4 4673 B12R0.134 CCCCC(C)OC(C)C(=O)OC 34a_100000687866_100000211248 [0,2,0,0,0,0|1,0,1]=4 4674 B12R0.134 CCCCC(C)OC(C)C(=O)OC 34a_100011215400_200011215066 [0,2,0,0,0,0|1,0,1]=4 4675 B12R0.134 CCCCC(C)OC(C)C(=O)OC 7a_100000687866_100000211248 [0,2,0,0,0,0|1,0,1]=4 4676 B12R0.134 CCCCC(C)SC(C)C(=O)OC 62a_100000211248_200011215066 [0,2,0,0,0,0|1,0,1]=4 4677 B12R0.134 CCCCC(C)SC(C)C(=O)OC 62a_200011215066_100000211248 [0,2,0,0,0,0|1,0,1]=4 4678 B12R0.147 CCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747405 [0,2,0,0,0,0|1,0,1]=4 4679 B12R0.147 CCC(C)CC(=O)C=CC(=O)NC 1458a_100016259477_100000748023 [0,2,0,0,0,0|1,0,1]=4 4680 B12R0.147 CCC(C)CC(C)NCC(=O)OC 2230a_100000763565_100000747449 [0,2,0,0,0,0|1,0,1]=4 4681 B12R0.147 CCC(C)CCC(=O)CC(=O)NC 1458a_100000701222_100000183359 [0,2,0,0,0,0|1,0,1]=4 4682 B12R0.147 CCC(C)CCC(=O)CC(=O)OC 1458a_100000701222_100000747449 [0,2,0,0,0,0|0,0,1]=3 4683 B12R0.147 CCC(C)CNC(=O)CC(=O)OC 240690a_100020588543_100000211351 [0,2,0,0,0,0|1,0,1]=4 4684 B12R0.147 CCC(C)NC(=O)C=CC(=O)OC 1626a_100000209981_100016283253 [0,2,0,0,0,0|1,0,1]=4 4685 B12R0.147 CCC(C)SCC(=O)CC(=O)OC 62a_100000210525_100000758301 [0,2,0,0,0,0|1,0,1]=4 4686 B12R0.147 CCC(C)SCC(=O)CC(=O)OC 62a_100000758301_100000210525 [0,2,0,0,0,0|1,0,1]=4 4687 B12R0.147 CCC(C)SCC(=O)NC(=O)OC 62a_100000758301_100000010850 [0,2,0,0,0,0|2,0,0]=4 4688 B12R0.147 CCC(O)CC(=O)C=CC(=O)NC 1458a_100016259477_100011218378 [0,2,0,0,0,0|1,0,1]=4 4689 B12R0.147 CCC(O)CNC(=O)CC(=O)OC 240690a_100011218483_100000211351 [0,2,0,0,0,0|1,0,1]=4 4690 B12R0.147 CCN(C)CCC(=O)CC(=O)OC 1458a_100000755305_100000747449 [0,2,0,0,0,0|1,0,1]=4 4691 B12R0.147 CCS(=O)CCC(=O)CC(=O)OC 1458a_100011387550_100000747449 [0,2,0,0,0,0|1,0,1]=4 4692 B12R0.147 CC[C@H](C)CC(=O)C=CC(=O)NC 1458a_100016259477_100009816398 [0,2,0,0,0,0|1,0,1]=4 4693 B12R0.189 CNC(=O)C=CC(=O)CCC(C)C 1458a_100016259477_100000210312 [0,2,0,0,0,0|1,0,1]=4 4694 B12R0.189 CNC(=O)C=CC(=O)CCC(C)O 1458a_100016259477_100012276601 [0,2,0,0,0,0|1,0,1]=4 4695 B12R0.189 COC(=O)C=CC(=O)NCC(C)C 1626a_100000210953_100016283253 [0,2,0,0,0,0|1,0,1]=4 4696 B12R0.189 COC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000747449 [0,2,0,0,0,0|1,0,1]=4 4697 B12R0.189 COC(=O)COC(C)CCC(C)C 34a_100011215350_100000747449 [0,2,0,0,0,0|1,0,1]=4 4698 B12R0.189 COC(=O)COC(C)CCC(C)C 7a_100011215350_100000747449 [0,2,0,0,0,0|1,0,1]=4 4699 B12R0.189 COC(=O)CSC(C)CCC(C)C 62a_100000747449_100011261404 [0,2,0,0,0,0|1,0,1]=4 4700 B12R0.189 COC(=O)CSC(C)CCC(C)C 62a_100011261404_100000747449 [0,2,0,0,0,0|1,0,1]=4 4701 B12R0.193 CCCC(C)C(=O)C=CC(=O)NC 1458a_100016259477_100000766640 [0,2,0,0,0,0|1,0,1]=4 4702 B12R0.193 CCCC(C)C(C)OCC(=O)OC 34a_100000708338_100000747449 [0,2,0,0,0,0|1,0,1]=4 4703 B12R0.193 CCCC(C)C(C)OCC(=O)OC 7a_100000708338_100000747449 [0,2,0,0,0,0|1,0,1]=4 4704 B12R0.193 CCCN(C)C(=O)C=CC(=O)OC 1626a_100000747261_100016283253 [0,2,0,0,0,0|1,0,1]=4 4705 B12R0.216 C#CC(CCCC)OCC(=O)OC 34a_200011217967_100000747449 [0,2,0,0,0,0|1,0,1]=4 4706 B12R0.216 C#CC(CCCC)OCC(=O)OC 7a_200011217967_100000747449 [0,2,0,0,0,0|1,0,1]=4 4707 B12R0.216 C=CC(CCCC)OCC(=O)OC 34a_200011215037_100000747449 [0,2,0,0,0,0|1,0,1]=4 4708 B12R0.216 C=CC(CCCC)OCC(=O)OC 7a_200011215037_100000747449 [0,2,0,0,0,0|1,0,1]=4 4709 B12R0.216 CCCCC(CC)OCC(=O)OC 34a_100011215227_100000747449 [0,2,0,0,0,0|1,0,1]=4 4710 B12R0.216 CCCCC(CC)OCC(=O)OC 7a_100011215227_100000747449 [0,2,0,0,0,0|1,0,1]=4 4711 B12R0.216 CCCCC(CC)SCC(=O)OC 62a_100000747449_200011216223 [0,2,0,0,0,0|1,0,1]=4 4712 B12R0.216 CCCCC(CC)SCC(=O)OC 62a_200011216223_100000747449 [0,2,0,0,0,0|1,0,1]=4 4713 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC 2230a_100011934283_100000747449 [0,2,0,0,0,0|1,0,1]=4 4714 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|1,0,1]=4 4715 B12R0.252 CCCCC(C)C(=O)C=C(C)CC 1458a_100020758463_200011215066 [0,2,0,0,0,0|2,0,0]=4 4716 B12R0.252 CCCCC(C)C(=O)CC(=O)CC 1458a_100000725509_100000747405 [0,2,0,0,0,0|1,0,1]=4 4717 B12R0.252 CCCCC(C)C(=O)CC(=O)NC 1458a_100000725509_100000183359 [0,2,0,0,0,0|1,0,1]=4 4718 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000211351_200011215066 [0,2,0,0,0,0|0,0,1]=3 4719 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000725509_100000747449 [0,2,0,0,0,0|0,0,1]=3 4720 B12R0.252 CCCCC(C)N(C)CC(=O)OC 2230a_100000198492_200011215066 [0,2,0,0,0,0|1,0,1]=4 4721 B12R0.252 CCCCC(C)N(C)CC(=O)OC 270004a_100000198492_100000210087 [0,2,0,0,0,0|1,0,1]=4 4722 B12R0.252 CCCCC(O)C(=O)CC(=O)CC 1458a_100000720857_100000747405 [0,2,0,0,0,0|1,0,1]=4 4723 B12R0.252 CCCCC(O)C(=O)CC(=O)NC 1458a_100000720857_100000183359 [0,2,0,0,0,0|1,0,1]=4 4724 B12R0.252 CCCCC(O)C(=O)CC(=O)OC 1458a_100000720857_100000747449 [0,2,0,0,0,0|0,0,1]=3 4725 B12R0.252 CCCCN(C)C(=O)CC(=O)OC 240690a_100000207549_100000211351 [0,2,0,0,0,0|1,0,1]=4 4726 B12R0.252 CCCSC(C)C(=O)CC(=O)OC 62a_100000210303_100009997173 [0,2,0,0,0,0|1,0,1]=4 4727 B12R0.252 CCCSC(C)C(=O)CC(=O)OC 62a_100009997173_100000210303 [0,2,0,0,0,0|1,0,1]=4 4728 B12R0.252 COC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000747449 [0,2,0,0,0,0|1,0,1]=4 4729 B12R0.328 CCCCC(C)(C)OCC(=O)OC 7a_100011219641_100000747449 [0,2,0,0,0,0|1,0,1]=4 4730 B12R0.130 C#CC(CC)OC/C=C/C(=O)OC 34a_100000758843_100000742655 [0,2,0,0,0,0|1,0,0]=3 4731 B12R0.130 C#CC(CC)OC/C=C/C(=O)OC 7a_100000758843_100000742655 [0,2,0,0,0,0|1,0,0]=3 4732 B12R0.130 C=CC(CC)OC/C=C/C(=O)OC 34a_100000766422_100000742655 [0,2,0,0,0,0|1,0,0]=3 4733 B12R0.130 C=CC(CC)OC/C=C/C(=O)OC 7a_100000766422_100000742655 [0,2,0,0,0,0|1,0,0]=3 4734 B12R0.130 C=C[C@@H](CO)NC/C=C/C(=O)OC 2230a_100016989147_100000742655 [0,2,0,0,0,0|2,0,0]=4 4735 B12R0.130 C=C[C@@H](CO)NC/C=C/C(=O)OC 34a_100016989147_100000742655 [0,2,0,0,0,0|2,0,0]=4 4736 B12R0.130 CCC(CC)NC/C=C/C(=O)OC 2230a_100000199018_100000742655 [0,2,0,0,0,0|1,0,0]=3 4737 B12R0.130 CCC(CC)OC/C=C/C(=O)OC 7a_100000688536_100000742655 [0,2,0,0,0,0|1,0,0]=3 4738 B12R0.130 CCC(CC)SC/C=C/C(=O)OC 62a_100000210505_100000742655 [0,2,0,0,0,0|1,0,0]=3 4739 B12R0.130 CCC(CC)SC/C=C/C(=O)OC 62a_100000742655_100000210505 [0,2,0,0,0,0|1,0,0]=3 4740 B12R0.130 CC[C@@H](CO)NC/C=C/C(=O)OC 2230a_100000709445_100000742655 [0,2,0,0,0,0|1,0,0]=3 4741 B12R0.130 COC(=O)/C=C/CNC(CO)CO 2230a_100000759517_100000742655 [0,2,0,0,0,0|2,0,0]=4 4742 B12R0.130 COC(=O)/C=C/COC(CCl)CCl 7a_100000737055_100000742655 [0,2,0,0,0,0|2,0,0]=4 4743 B12R0.130 COC(=O)/C=C/COC(CF)CF 34a_100000032261_100000742655 [0,2,0,0,0,0|2,0,0]=4 4744 B12R0.130 COC(=O)/C=C/COC(CF)CF 7a_100000032261_100000742655 [0,2,0,0,0,0|2,0,0]=4 4745 B12R0.130 COC(=O)/C=C/COC(CN)CN 34a_100000031598_100000742655 [0,2,0,0,0,0|2,0,0]=4 4746 B12R0.130 COC(=O)/C=C/CO[C@@H](CF)CCl 34a_100015614560_100000742655 [0,2,0,0,0,0|2,0,0]=4 4747 B12R0.130 COC(=O)/C=C/CO[C@@H](CF)CCl 7a_100015614560_100000742655 [0,2,0,0,0,0|2,0,0]=4 4748 B12R0.156 C=C(CSCC(C)CC)C(=O)OC 62a_100000748023_100009813391 [0,2,0,0,0,0|1,0,1]=4 4749 B12R0.156 C=C(CSCC(C)CC)C(=O)OC 62a_100009813391_100000748023 [0,2,0,0,0,0|1,0,1]=4 4750 B12R0.156 C=C(CSCC(O)CC)C(=O)OC 62a_100009813391_100011218378 [0,2,0,0,0,0|1,0,1]=4 4751 B12R0.156 C=C(CSCC(O)CC)C(=O)OC 62a_100011218378_100009813391 [0,2,0,0,0,0|1,0,1]=4 4752 B12R0.156 C=C(CSC[C@@H](C)CC)C(=O)OC 62a_100009813391_100009816398 [0,2,0,0,0,0|1,0,1]=4 4753 B12R0.156 C=C(CSC[C@@H](C)CC)C(=O)OC 62a_100009816398_100009813391 [0,2,0,0,0,0|1,0,1]=4 4754 B12R0.156 CCC(C)CCNC(=O)C(=O)NC 1626a_100020591266_100011218921 [0,2,0,0,0,0|2,0,0]=4 4755 B12R0.156 CCC(C)CCNC(=O)C(=O)NC 240690a_100020591266_100011218921 [0,2,0,0,0,0|2,0,0]=4 4756 B12R0.156 CCC(C)CCNC(=O)C(=O)NC 527a_100020591266_100011218921 [0,2,0,0,0,0|2,0,0]=4 4757 B12R0.156 CCC(C)CCNC(=O)C(=O)OC 11a_100020591266_100000024059 [0,2,0,0,0,0|1,0,0]=3 4758 B12R0.156 CCC(C)CCNC(=O)C(=O)OC 1626a_100020591266_100000024059 [0,2,0,0,0,0|1,0,0]=3 4759 B12R0.156 CCC(C)CCNC(=O)C(=O)OC 240690a_100020591266_100000024059 [0,2,0,0,0,0|1,0,0]=3 4760 B12R0.156 CCC(C)CCNC(=O)C(=O)OC 527a_100020591266_100000024059 [0,2,0,0,0,0|1,0,0]=3 4761 B12R0.156 CCC(C)CCNC(C)C(=O)OC 2230a_100020591266_100000211248 [0,2,0,0,0,0|1,0,1]=4 4762 B12R0.156 CCC(C)CCOC(C)C(=O)OC 7a_100011215188_100000211248 [0,2,0,0,0,0|1,0,1]=4 4763 B12R0.156 CCC(C)CSCC(=O)C(=O)OC 62a_100000748023_100011610305 [0,2,0,0,0,0|1,0,1]=4 4764 B12R0.156 CCC(C)CSCC(=O)C(=O)OC 62a_100011610305_100000748023 [0,2,0,0,0,0|1,0,1]=4 4765 B12R0.156 CCC(C)N(C)C/C=C/C(=O)OC 2230a_100000741768_100000742655 [0,2,0,0,0,0|1,0,0]=3 4766 B12R0.156 CCC(C)N(C)C/C=C/C(=O)OC 269982a_100000741768_100000742655 [0,2,0,0,0,0|1,0,0]=3 4767 B12R0.156 CCC(O)CNN=C(C)C(=O)OC 4a_100015206393_100000211753 [0,2,0,0,0,0|2,0,0]=4 4768 B12R0.156 CCC(O)CSCC(=O)C(=O)OC 62a_100011218378_100011610305 [0,2,0,0,0,0|1,0,1]=4 4769 B12R0.156 CCC(O)CSCC(=O)C(=O)OC 62a_100011610305_100011218378 [0,2,0,0,0,0|1,0,1]=4 4770 B12R0.156 CC[C@H](C)CSCC(=O)C(=O)OC 62a_100009816398_100011610305 [0,2,0,0,0,0|1,0,1]=4 4771 B12R0.156 CC[C@H](C)CSCC(=O)C(=O)OC 62a_100011610305_100009816398 [0,2,0,0,0,0|1,0,1]=4 4772 B12R0.156 COC(=O)/C=C/CN(C)C(C)CO 2230a_100000693034_100000742655 [0,2,0,0,0,0|2,0,0]=4 4773 B12R0.156 COC(=O)/C=C/CN(C)C(C)CO 269982a_100000693034_100000742655 [0,2,0,0,0,0|2,0,0]=4 4774 B12R0.156 COC(=O)C(=O)NCCC(C)CO 240690a_106354213184_100000024059 [0,2,0,0,0,0|2,0,0]=4 4775 B12R0.156 COC(=O)C(=O)NCCC(C)CO 527a_106354213184_100000024059 [0,2,0,0,0,0|2,0,0]=4 4776 B12R0.86 C=C(COCCC(C)Br)C(=O)OC 34a_100009893172_100009813391 [0,2,0,0,0,0|1,0,1]=4 4777 B12R0.86 C=C(COCCC(C)C)C(=O)OC 34a_100000210254_100009813391 [0,2,0,0,0,0|1,0,1]=4 4778 B12R0.86 C=C(COCC[C@@H](C)N)C(=O)OC 34a_100000706166_100009813391 [0,2,0,0,0,0|1,0,1]=4 4779 B12R0.86 C=C(CSCCC(C)C)C(=O)OC 62a_100000210312_100009813391 [0,2,0,0,0,0|1,0,1]=4 4780 B12R0.86 C=C(CSCCC(C)C)C(=O)OC 62a_100009813391_100000210312 [0,2,0,0,0,0|1,0,1]=4 4781 B12R0.86 C=C(CSCCC(C)O)C(=O)OC 62a_100009813391_100012276601 [0,2,0,0,0,0|1,0,1]=4 4782 B12R0.86 C=C(CSCCC(C)O)C(=O)OC 62a_100012276601_100009813391 [0,2,0,0,0,0|1,0,1]=4 4783 B12R0.86 CNC(=O)C(=O)CCCCC(C)C 1458a_100011218921_100011216152 [0,2,0,0,0,0|1,0,1]=4 4784 B12R0.86 CNC(=O)C(=O)NCCCC(C)C 1626a_200000737386_100011218921 [0,2,0,0,0,0|2,0,0]=4 4785 B12R0.86 CNC(=O)C(=O)NCCCC(C)C 240690a_200000737386_100011218921 [0,2,0,0,0,0|2,0,0]=4 4786 B12R0.86 CNC(=O)C(=O)NCCCC(C)C 527a_200000737386_100011218921 [0,2,0,0,0,0|2,0,0]=4 4787 B12R0.86 COC(=O)C(=O)COCCC(C)Br 34a_100009893172_100011610305 [0,2,0,0,0,0|1,0,1]=4 4788 B12R0.86 COC(=O)C(=O)COCCC(C)C 34a_100000210254_100011610305 [0,2,0,0,0,0|1,0,1]=4 4789 B12R0.86 COC(=O)C(=O)COCC[C@@H](C)N 34a_100000706166_100011610305 [0,2,0,0,0,0|1,0,1]=4 4790 B12R0.86 COC(=O)C(=O)CSCCC(C)C 62a_100000210312_100011610305 [0,2,0,0,0,0|1,0,1]=4 4791 B12R0.86 COC(=O)C(=O)CSCCC(C)C 62a_100011610305_100000210312 [0,2,0,0,0,0|1,0,1]=4 4792 B12R0.86 COC(=O)C(=O)CSCCC(C)O 62a_100011610305_100012276601 [0,2,0,0,0,0|1,0,1]=4 4793 B12R0.86 COC(=O)C(=O)CSCCC(C)O 62a_100012276601_100011610305 [0,2,0,0,0,0|1,0,1]=4 4794 B12R0.86 COC(=O)C(=O)NCCCC(C)C 11a_200000737386_100000024059 [0,2,0,0,0,0|1,0,0]=3 4795 B12R0.86 COC(=O)C(=O)NCCCC(C)C 1626a_200000737386_100000024059 [0,2,0,0,0,0|1,0,0]=3 4796 B12R0.86 COC(=O)C(=O)NCCCC(C)C 240690a_200000737386_100000024059 [0,2,0,0,0,0|1,0,0]=3 4797 B12R0.86 COC(=O)C(=O)NCCCC(C)C 527a_200000737386_100000024059 [0,2,0,0,0,0|1,0,0]=3 4798 B12R0.86 COC(=O)C(=O)NCCCN(C)C 240690a_102531767803_100000024059 [0,2,0,0,0,0|2,0,0]=4 4799 B12R0.86 COC(=O)C(=O)NCCCN(C)C 527a_102531767803_100000024059 [0,2,0,0,0,0|2,0,0]=4 4800 B12R0.86 COC(=O)C(=O)NCCCS(=O)C 11a_200000753449_100000024059 [0,2,0,0,0,0|2,0,0]=4 4801 B12R0.86 COC(=O)C(=O)NCCCS(=O)C 240690a_200000753449_100000024059 [0,2,0,0,0,0|2,0,0]=4 4802 B12R0.86 COC(=O)C(=O)NCCCS(=O)C 527a_200000753449_100000024059 [0,2,0,0,0,0|2,0,0]=4 4803 B12R0.86 COC(=O)C(=O)NCCOC(C)C 11a_100000701111_100000024059 [0,2,0,0,0,0|2,0,0]=4 4804 B12R0.86 COC(=O)C(=O)NCCOC(C)C 1626a_100000701111_100000024059 [0,2,0,0,0,0|2,0,0]=4 4805 B12R0.86 COC(=O)C(=O)NCCOC(C)C 240690a_100000701111_100000024059 [0,2,0,0,0,0|2,0,0]=4 4806 B12R0.86 COC(=O)C(=O)NCCOC(C)C 527a_100000701111_100000024059 [0,2,0,0,0,0|2,0,0]=4 4807 B12R0.86 COC(=O)C(=O)NCCSC(C)C 11a_100000731138_100000024059 [0,2,0,0,0,0|2,0,0]=4 4808 B12R0.86 COC(=O)C(=O)NCCSC(C)C 1626a_100000731138_100000024059 [0,2,0,0,0,0|2,0,0]=4 4809 B12R0.86 COC(=O)C(=O)NCCSC(C)C 240690a_100000731138_100000024059 [0,2,0,0,0,0|2,0,0]=4 4810 B12R0.86 COC(=O)C(=O)NCCSC(C)C 527a_100000731138_100000024059 [0,2,0,0,0,0|2,0,0]=4 4811 B12R0.86 COC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000211248 [0,2,0,0,0,0|1,0,1]=4 4812 B12R0.86 COC(=O)C(C)NCCCC(C)C 34a_200000737386_100000211248 [0,2,0,0,0,0|1,0,1]=4 4813 B12R0.86 COC(=O)C(C)OCCCC(C)C 34a_100000210774_100000211248 [0,2,0,0,0,0|1,0,1]=4 4814 B12R0.86 COC(=O)C(C)OCCCC(C)C 34a_100011215400_100011214892 [0,2,0,0,0,0|1,0,1]=4 4815 B12R0.86 COC(=O)C(C)OCCCC(C)C 7a_100000210774_100000211248 [0,2,0,0,0,0|1,0,1]=4 4816 B12R0.86 COC(=O)C(C)OCCCC(C)O 34a_100011215400_200000718107 [0,2,0,0,0,0|1,0,1]=4 4817 B12R0.86 COC(=O)C(C)SCCCC(C)C 62a_100000211248_100011214892 [0,2,0,0,0,0|1,0,1]=4 4818 B12R0.86 COC(=O)C(C)SCCCC(C)C 62a_100011214892_100000211248 [0,2,0,0,0,0|1,0,1]=4 4819 B12R0.86 COC(=O)C(C)SCCCC(C)O 62a_100000211248_200000718107 [0,2,0,0,0,0|1,0,1]=4 4820 B12R0.86 COC(=O)C(C)SCCCC(C)O 62a_200000718107_100000211248 [0,2,0,0,0,0|1,0,1]=4 4821 B12R0.150 COC(=O)/C=C/CNCC(C)(C)C 2230a_100000743828_100000742655 [0,2,0,0,0,0|1,0,0]=3 4822 B12R0.150 COC(=O)/C=C/CNCC(C)(C)F 2230a_100020643315_100000742655 [0,2,0,0,0,0|1,0,0]=3 4823 B12R0.150 COC(=O)/C=C/CNCC(C)(C)O 2230a_100000751335_100000742655 [0,2,0,0,0,0|1,0,0]=3 4824 B12R0.150 COC(=O)/C=C/CNCC(F)(F)F 34a_100000717047_100000742655 [0,2,0,0,0,0|2,0,0]=4 4825 B12R0.150 COC(=O)/C=C/COCC(C)(C)F 34a_100000716592_100000742655 [0,2,0,0,0,0|1,0,0]=3 4826 B12R0.150 COC(=O)/C=C/COCC(C)(F)F 34a_100000068830_100000742655 [0,2,0,0,0,0|1,0,0]=3 4827 B12R0.150 COC(=O)/C=C/COCC(F)(F)Br 34a_100011217949_100000742655 [0,2,0,0,0,0|2,0,0]=4 4828 B12R0.150 COC(=O)/C=C/COCC(F)(F)Cl 34a_100000734434_100000742655 [0,2,0,0,0,0|2,0,0]=4 4829 B12R0.150 COC(=O)/C=C/COCC(F)(F)F 34a_100000210435_100000742655 [0,2,0,0,0,0|2,0,0]=4 4830 B12R0.150 COC(=O)/C=C/CSCC(C)(C)C 62a_100000742655_100011219605 [0,2,0,0,0,0|1,0,0]=3 4831 B12R0.150 COC(=O)/C=C/CSCC(C)(C)C 62a_100011219605_100000742655 [0,2,0,0,0,0|1,0,0]=3 4832 B12R0.150 COC(=O)/C=C/CSCC(C)(C)F 62a_100000742655_100011997219 [0,2,0,0,0,0|1,0,0]=3 4833 B12R0.150 COC(=O)/C=C/CSCC(C)(C)F 62a_100011997219_100000742655 [0,2,0,0,0,0|1,0,0]=3 4834 B12R0.150 COC(=O)/C=C/CSCC(C)(C)O 62a_100000742655_100000764493 [0,2,0,0,0,0|1,0,0]=3 4835 B12R0.150 COC(=O)/C=C/CSCC(C)(C)O 62a_100000764493_100000742655 [0,2,0,0,0,0|1,0,0]=3 4836 B12R0.150 COC(=O)/C=C/CSCC(F)(F)F 62a_100000742655_100000763148 [0,2,0,0,0,0|2,0,0]=4 4837 B12R0.150 COC(=O)/C=C/CSCC(F)(F)F 62a_100000763148_100000742655 [0,2,0,0,0,0|2,0,0]=4 4838 B12R0.150 COC(=O)/C=C/CSC[N+](C)(C)C 62a_100000742655_200000036245 [0,2,0,0,0,0|2,0,0]=4 4839 B12R0.150 COC(=O)/C=C/CSC[N+](C)(C)C 62a_200000036245_100000742655 [0,2,0,0,0,0|2,0,0]=4 4840 B12R0.150 COC(=O)/C=C/CSC[Si](C)(C)C 62a_100000037933_100000742655 [0,2,0,0,0,0|1,1,0]=4 4841 B12R0.150 COC(=O)/C=C/CSC[Si](C)(C)C 62a_100000742655_100000037933 [0,2,0,0,0,0|1,1,0]=4 4842 B12R0.150 COC(=O)CSCCCC(C)(C)O 62a_100000747449_100009888830 [0,2,0,0,0,0|1,0,1]=4 4843 B12R0.150 COC(=O)CSCCCC(C)(C)O 62a_100009888830_100000747449 [0,2,0,0,0,0|1,0,1]=4 4844 B12R0.240 CCC(=CC(=O)CCCC(C)C)C 1458a_100020758463_100011214892 [0,2,0,0,0,0|2,0,0]=4 4845 B12R0.240 CCC(=CC(=O)CCCC(C)O)C 1458a_100020758463_200000718107 [0,2,0,0,0,0|2,0,0]=4 4846 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [0,2,0,0,0,0|1,0,1]=4 4847 B12R0.240 CNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183359 [0,2,0,0,0,0|1,0,1]=4 4848 B12R0.240 COC(=O)CC(=O)CCCC(=O)C 1458a_100000211351_100011215641 [0,2,0,0,0,0|0,0,2]=4 4849 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100000211351_100011214892 [0,2,0,0,0,0|0,0,1]=3 4850 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747449 [0,2,0,0,0,0|0,0,1]=3 4851 B12R0.240 COC(=O)CC(=O)CCCC(C)O 1458a_100000211351_200000718107 [0,2,0,0,0,0|0,0,1]=3 4852 B12R0.240 COC(=O)CC(=O)CCCN(C)C 1458a_100000211351_100000695564 [0,2,0,0,0,0|1,0,1]=4 4853 B12R0.240 COC(=O)CC(=O)CCOC(C)C 1458a_100000211351_100000211751 [0,2,0,0,0,0|1,0,1]=4 4854 B12R0.240 COC(=O)CC(=O)CCSC(C)C 1458a_100000211351_100000730970 [0,2,0,0,0,0|1,0,1]=4 4855 B12R0.240 COC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747449 [0,2,0,0,0,0|1,0,1]=4 4856 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210525_100000210760 [0,2,0,0,0,0|1,0,1]=4 4857 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210525 [0,2,0,0,0,0|1,0,1]=4 4858 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100000210525_100011218427 [0,2,0,0,0,0|1,0,1]=4 4859 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210525 [0,2,0,0,0,0|1,0,1]=4 4860 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210525_100009817552 [0,2,0,0,0,0|1,0,1]=4 4861 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210525 [0,2,0,0,0,0|1,0,1]=4 4862 B12R0.240 COC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000211351 [0,2,0,0,0,0|1,0,1]=4 4863 B12R0.240 COC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000211351 [0,2,0,0,0,0|1,0,1]=4 4864 B12R0.240 COC(=O)CN(C)CCCC(C)C 2230a_100000198492_100011214892 [0,2,0,0,0,0|1,0,1]=4 4865 B12R0.240 COC(=O)CN(C)CCCC(C)O 2230a_100000198492_200000718107 [0,2,0,0,0,0|1,0,1]=4 4866 B12R0.240 COC(=O)NC(=O)CSCC(C)C 62a_100000210624_100000010850 [0,2,0,0,0,0|2,0,0]=4 4867 B12R0.240 COC(=O)NC(=O)CSCC(C)O 62a_100011218427_100000010850 [0,2,0,0,0,0|2,0,0]=4 4868 B12R0.240 COC(=O)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000010850 [0,2,0,0,0,0|2,0,0]=4 4869 B12R0.241 C=C(C)CN(C)C/C=C/C(=O)OC 2230a_100000225649_100000742655 [0,2,0,0,0,0|1,0,1]=4 4870 B12R0.241 C=C(C)CN(C)C/C=C/C(=O)OC 269982a_100000225649_100000742655 [0,2,0,0,0,0|1,0,1]=4 4871 B12R0.241 COC(=O)/C=C/CN(C)CC(C)C 2230a_100000747067_100000742655 [0,2,0,0,0,0|1,0,0]=3 4872 B12R0.241 COC(=O)/C=C/CN(C)CC(C)C 269982a_100000747067_100000742655 [0,2,0,0,0,0|1,0,0]=3 4873 B12R0.241 COC(=O)/C=C/CN(C)CC(C)O 2230a_100000227577_100000742655 [0,2,0,0,0,0|1,0,0]=3 4874 B12R0.241 COC(=O)/C=C/CN(C)CC(C)O 269982a_100000227577_100000742655 [0,2,0,0,0,0|1,0,0]=3 4875 B12R0.241 COC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000747449 [0,2,0,0,0,0|1,0,1]=4 4876 B12R0.79 C=C(COC(C)CCC)C(=O)OC 34a_100000764384_100009813391 [0,2,0,0,0,0|1,0,1]=4 4877 B12R0.79 C=C(CSC(C)CCC)C(=O)OC 62a_100000766640_100009813391 [0,2,0,0,0,0|1,0,1]=4 4878 B12R0.79 C=C(CSC(C)CCC)C(=O)OC 62a_100009813391_100000766640 [0,2,0,0,0,0|1,0,1]=4 4879 B12R0.79 CCCC(C)COC(C)C(=O)OC 34a_100000688023_100000211248 [0,2,0,0,0,0|1,0,1]=4 4880 B12R0.79 CCCC(C)COC(C)C(=O)OC 34a_100011215400_100011216630 [0,2,0,0,0,0|1,0,1]=4 4881 B12R0.79 CCCC(C)COC(C)C(=O)OC 7a_100000688023_100000211248 [0,2,0,0,0,0|1,0,1]=4 4882 B12R0.79 CCCC(C)CSC(C)C(=O)OC 62a_100000211248_100011216630 [0,2,0,0,0,0|1,0,1]=4 4883 B12R0.79 CCCC(C)CSC(C)C(=O)OC 62a_100011216630_100000211248 [0,2,0,0,0,0|1,0,1]=4 4884 B12R0.79 CCCC(C)OCC(=O)C(=O)OC 34a_100000764384_100011610305 [0,2,0,0,0,0|1,0,1]=4 4885 B12R0.79 CCCC(C)SCC(=O)C(=O)OC 62a_100000766640_100011610305 [0,2,0,0,0,0|1,0,1]=4 4886 B12R0.79 CCCC(C)SCC(=O)C(=O)OC 62a_100011610305_100000766640 [0,2,0,0,0,0|1,0,1]=4 4887 B12R0.79 CCC[C@H](N)COC(C)C(=O)OC 34a_100000732646_100000211248 [0,2,0,0,0,0|1,0,1]=4 4888 B12R0.79 COCC(O)CNC(=O)C(=O)OC 240690a_100000756049_100000024059 [0,2,0,0,0,0|2,0,0]=4 4889 B12R0.79 COCC(O)CNC(=O)C(=O)OC 527a_100000756049_100000024059 [0,2,0,0,0,0|2,0,0]=4 4890 B12R0.110 CCCCCC(=O)C(C)C(=O)CC 1458a_100000212188_100000742827 [0,2,0,0,0,0|1,0,1]=4 4891 B12R0.110 CCCCCC(=O)C(C)C(=O)NC 1458a_100000212188_100000209862 [0,2,0,0,0,0|1,0,1]=4 4892 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100000212188_100000211248 [0,2,0,0,0,0|0,0,1]=3 4893 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210326 [0,2,0,0,0,0|0,0,1]=3 4894 B12R0.110 CCCCCC(=O)C(F)C(=O)NC 1458a_100000212188_100009813575 [0,2,0,0,0,0|1,0,1]=4 4895 B12R0.110 CCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011218191 [0,2,0,0,0,0|1,0,1]=4 4896 B12R0.110 CCCCCN(C)C(=O)C(=O)NC 1626a_100000223495_100011218921 [0,2,0,0,0,0|2,0,0]=4 4897 B12R0.110 CCCCCN(C)C(=O)C(=O)NC 240690a_100000223495_100011218921 [0,2,0,0,0,0|2,0,0]=4 4898 B12R0.110 CCCCCN(C)C(=O)C(=O)NC 527a_100000223495_100011218921 [0,2,0,0,0,0|2,0,0]=4 4899 B12R0.110 CCCCCN(C)C(=O)C(=O)OC 11a_100000223495_100000024059 [0,2,0,0,0,0|1,0,0]=3 4900 B12R0.110 CCCCCN(C)C(=O)C(=O)OC 1626a_100000223495_100000024059 [0,2,0,0,0,0|1,0,0]=3 4901 B12R0.110 CCCCCN(C)C(=O)C(=O)OC 240690a_100000223495_100000024059 [0,2,0,0,0,0|1,0,0]=3 4902 B12R0.110 CCCCCN(C)C(=O)C(=O)OC 527a_100000223495_100000024059 [0,2,0,0,0,0|1,0,0]=3 4903 B12R0.110 CCCCCN(C)C(C)C(=O)OC 2230a_100000223495_100000211248 [0,2,0,0,0,0|1,0,1]=4 4904 B12R0.110 CCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210326 [0,2,0,0,0,0|1,0,1]=4 4905 B12R0.110 CCCCCN(C)C(C)C(=O)OC 269982a_100000223495_100000211248 [0,2,0,0,0,0|1,0,1]=4 4906 B12R0.110 CCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210215 [0,2,0,0,0,0|1,0,1]=4 4907 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 11a_100000102301_100012027023 [0,2,0,0,0,0|1,0,1]=4 4908 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 1626a_100000102301_100012027023 [0,2,0,0,0,0|1,0,1]=4 4909 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 240690a_100000102301_100012027023 [0,2,0,0,0,0|1,0,1]=4 4910 B12R0.110 CCCCNC(=O)C(C)C(=O)OC 527a_100000102301_100012027023 [0,2,0,0,0,0|1,0,1]=4 4911 B12R0.110 CCCCNC(C)C(=O)C(=O)OC 2230a_100000102301_100000692041 [0,2,0,0,0,0|1,0,1]=4 4912 B12R0.110 CCCCOC(C)C(=O)C(=O)OC 34a_100000210227_100000692041 [0,2,0,0,0,0|1,0,1]=4 4913 B12R0.110 CCCCSC(C)C(=O)C(=O)OC 62a_100000210211_100000692041 [0,2,0,0,0,0|1,0,1]=4 4914 B12R0.110 CCCCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210210 [0,2,0,0,0,0|1,0,1]=4 4915 B12R0.110 CCCOCC(=O)C(C)C(=O)OC 1458a_100000745993_100000211248 [0,2,0,0,0,0|1,0,1]=4 4916 B12R0.110 CCCSCC(=O)C(C)C(=O)OC 1458a_100000217233_100000211248 [0,2,0,0,0,0|1,0,1]=4 4917 B12R0.110 CCOCCC(=O)C(C)C(=O)OC 1458a_100000749530_100000211248 [0,2,0,0,0,0|1,0,1]=4 4918 B12R0.110 CCOCCC(=O)C(C)C(=O)OC 1458a_100012027023_100011215890 [0,2,0,0,0,0|1,0,1]=4 4919 B12R0.110 CCSCCC(=O)C(C)C(=O)OC 1458a_100000230768_100000211248 [0,2,0,0,0,0|1,0,1]=4 4920 B12R0.110 CCSCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000757381 [0,2,0,0,0,0|1,0,1]=4 4921 B12R0.110 COC(=O)C(=O)N(C)CCCCO 240690a_100000717598_100000024059 [0,2,0,0,0,0|2,0,0]=4 4922 B12R0.110 COC(=O)C(C)C(=O)CCCCF 1458a_100012027023_100000729493 [0,2,0,0,0,0|1,0,1]=4 4923 B12R0.110 COC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000211248 [0,2,0,0,0,0|1,0,1]=4 4924 B12R0.110 COC(=O)C(C)C(=O)CCCCO 1458a_100012027023_100000210776 [0,2,0,0,0,0|1,0,1]=4 4925 B12R0.110 COC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000211248 [0,2,0,0,0,0|1,0,1]=4 4926 B12R0.110 COCCCC(=O)C(C)C(=O)OC 1458a_100000741012_100000211248 [0,2,0,0,0,0|1,0,1]=4 4927 B12R0.110 COCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000740836 [0,2,0,0,0,0|1,0,1]=4 4928 B12R0.110 COCCCN(C)C(=O)C(=O)OC 11a_100000224831_100000024059 [0,2,0,0,0,0|2,0,0]=4 4929 B12R0.110 COCCCN(C)C(=O)C(=O)OC 1626a_100000224831_100000024059 [0,2,0,0,0,0|2,0,0]=4 4930 B12R0.110 COCCCN(C)C(=O)C(=O)OC 240690a_100000224831_100000024059 [0,2,0,0,0,0|2,0,0]=4 4931 B12R0.110 COCCCN(C)C(=O)C(=O)OC 527a_100000224831_100000024059 [0,2,0,0,0,0|2,0,0]=4 4932 B12R0.200 CCCCCCC(NC)C(=O)OC 2230a_106832991635_100009813864 [0,2,0,0,0,0|0,0,2]=4 4933 B12R0.200 CCCCCCC(NC)C(=O)OC 34a_100102657272_100009813864 [0,2,0,0,0,0|0,0,2]=4 4934 B12R0.200 CCCCCCC(NC)C(=O)OC 7a_106832991635_100009813864 [0,2,0,0,0,0|0,0,2]=4 4935 B12R0.200 CCCCCCC(OC)C(=O)OC 34a_100138415774_100009813864 [0,2,0,0,0,0|0,0,2]=4 4936 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_100009813864_200000210301 [0,2,0,0,0,0|0,0,2]=4 4937 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_200000210301_100009813864 [0,2,0,0,0,0|0,0,2]=4 4938 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_100009813864_200025704644 [0,2,0,0,0,0|0,0,2]=4 4939 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_200025704644_100009813864 [0,2,0,0,0,0|0,0,2]=4 4940 B12R0.200 CCCCCNC(CC)C(=O)OC 2230a_100000209983_100000235869 [0,2,0,0,0,0|1,0,1]=4 4941 B12R0.200 CCCCCOC(C=O)C(=O)OC 34a_100000210253_100000046368 [0,2,0,0,0,0|1,0,1]=4 4942 B12R0.200 CCCCCOC(CC)C(=O)OC 34a_100000210253_100000235869 [0,2,0,0,0,0|1,0,1]=4 4943 B12R0.200 CCCCCOC(CC)C(=O)OC 34a_100000695916_100000718602 [0,2,0,0,0,0|1,0,1]=4 4944 B12R0.200 CCCCCOC(CC)C(=O)OC 7a_100000210253_100000742303 [0,2,0,0,0,0|1,0,1]=4 4945 B12R0.200 CCCCCOC(CC)C(=O)OC 7a_100000695916_100000210326 [0,2,0,0,0,0|1,0,1]=4 4946 B12R0.200 CCCCCOC(CN)C(=O)OC 34a_100000695228_100000718602 [0,2,0,0,0,0|1,0,1]=4 4947 B12R0.200 CCCCCOC(CO)C(=O)OC 34a_100000210253_100012276630 [0,2,0,0,0,0|1,0,1]=4 4948 B12R0.200 CCCCCOC(OC)C(=O)OC 34a_100000036821_100000718602 [0,2,0,0,0,0|1,0,1]=4 4949 B12R0.200 CCCCCOC(OC)C(=O)OC 34a_100000210253_100000101307 [0,2,0,0,0,0|1,0,1]=4 4950 B12R0.200 CCCCCSC(C=O)C(=O)OC 62a_100000046368_100000210326 [0,2,0,0,0,0|1,0,1]=4 4951 B12R0.200 CCCCCSC(C=O)C(=O)OC 62a_100000210326_100000046368 [0,2,0,0,0,0|1,0,1]=4 4952 B12R0.200 CCCCCSC(CC)C(=O)OC 62a_100000210326_100000235869 [0,2,0,0,0,0|1,0,1]=4 4953 B12R0.200 CCCCCSC(CC)C(=O)OC 62a_100000235869_100000210326 [0,2,0,0,0,0|1,0,1]=4 4954 B12R0.200 CCCCCSC(CO)C(=O)OC 62a_100000210326_100012276630 [0,2,0,0,0,0|1,0,1]=4 4955 B12R0.200 CCCCCSC(CO)C(=O)OC 62a_100012276630_100000210326 [0,2,0,0,0,0|1,0,1]=4 4956 B12R0.200 CCCCCSC(OC)C(=O)OC 62a_100000101307_100000210326 [0,2,0,0,0,0|1,0,1]=4 4957 B12R0.200 CCCCCSC(OC)C(=O)OC 62a_100000210326_100000101307 [0,2,0,0,0,0|1,0,1]=4 4958 B12R0.200 CCCCNN=C(CC)C(=O)OC 4a_100025702795_100000688641 [0,2,0,0,0,0|2,0,0]=4 4959 B12R0.600 CCCCCNC(C)(C)C(=O)OC 2230a_100000209983_100000689032 [0,2,0,0,0,0|1,0,1]=4 4960 B12R0.600 CCCCCNC(C)(F)C(=O)OC 2230a_100000209983_200009867631 [0,2,0,0,0,0|1,0,1]=4 4961 B12R0.600 CCCCCOC(C)(C)C(=O)OC 34a_100011217581_100000718602 [0,2,0,0,0,0|1,0,1]=4 4962 B12R0.600 CCCCCOC(C)(C)C(=O)OC 7a_100011217581_100000210326 [0,2,0,0,0,0|1,0,1]=4 4963 B12R0.600 CCCCCOC(C)(F)C(=O)OC 34a_100000210253_200009867631 [0,2,0,0,0,0|1,0,1]=4 4964 B12R0.600 CCCCCOC(F)(F)C(=O)OC 34a_100000210253_100000211177 [0,2,0,0,0,0|1,0,1]=4 4965 B12R0.600 CCCCCOC(F)(F)C(=O)OC 7a_100000210253_100000211177 [0,2,0,0,0,0|1,0,1]=4 4966 B12R0.600 CCCCCSC(C)(C)C(=O)OC 62a_100000210326_100000689032 [0,2,0,0,0,0|1,0,1]=4 4967 B12R0.600 CCCCCSC(C)(C)C(=O)OC 62a_100000689032_100000210326 [0,2,0,0,0,0|1,0,1]=4 4968 B12R0.600 CCCCCSC(C)(F)C(=O)OC 62a_100000210326_200009867631 [0,2,0,0,0,0|1,0,1]=4 4969 B12R0.600 CCCCCSC(C)(F)C(=O)OC 62a_200009867631_100000210326 [0,2,0,0,0,0|1,0,1]=4 4970 B12R0.600 CCCCCSC(F)(F)C(=O)OC 62a_100000210326_100000211177 [0,2,0,0,0,0|1,0,1]=4 4971 B12R0.600 CCCCCSC(F)(F)C(=O)OC 62a_100000211177_100000210326 [0,2,0,0,0,0|1,0,1]=4 4972 B12R0.68 C=C(CCC)CC(=O)CC(=O)OC 1458a_100000138376_100000747449 [0,2,0,0,0,0|0,0,2]=4 4973 B12R0.68 CCCC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747444 [0,2,0,0,0,0|0,0,2]=4 4974 B12R0.68 CCCC(=O)CC(=O)NC(=O)OC 1458a_100000211992_100000010850 [0,2,0,0,0,0|1,0,1]=4 4975 B12R0.68 CCCC(C)CC(=O)C=C(C)CC 1458a_100020758463_100011216630 [0,2,0,0,0,0|2,0,0]=4 4976 B12R0.68 CCCC(C)CC(=O)CC(=O)CC 1458a_100000748435_100000747405 [0,2,0,0,0,0|1,0,1]=4 4977 B12R0.68 CCCC(C)CC(=O)CC(=O)NC 1458a_100000748435_100000183359 [0,2,0,0,0,0|1,0,1]=4 4978 B12R0.68 CCCC(C)CC(=O)CC(=O)OC 1458a_100000211351_100011216630 [0,2,0,0,0,0|0,0,1]=3 4979 B12R0.68 CCCC(C)CC(=O)CC(=O)OC 1458a_100000748435_100000747449 [0,2,0,0,0,0|0,0,1]=3 4980 B12R0.68 CCCC(C)CN(C)CC(=O)OC 2230a_100000198492_100011216630 [0,2,0,0,0,0|1,0,1]=4 4981 B12R0.68 CCCC(C)CN(C)CC(=O)OC 270004a_100000198492_100000243154 [0,2,0,0,0,0|1,0,1]=4 4982 B12R0.68 CCCC(C)NC(=O)CC(=O)OC 240690a_100000741246_100000211351 [0,2,0,0,0,0|1,0,1]=4 4983 B12R0.68 CCCN(C)CC(=O)NC(=O)OC 269982a_100000747261_100000010850 [0,2,0,0,0,0|2,0,0]=4 4984 B12R0.68 CCCS(=O)CC(=O)CC(=O)OC 1458a_100011387404_100000747449 [0,2,0,0,0,0|1,0,1]=4 4985 B12R0.68 CCSC(C)CC(=O)CC(=O)OC 1458a_200011311441_100000747449 [0,2,0,0,0,0|1,0,1]=4 4986 B12R0.126 CCCOC/C(=C\C(=O)OC)/OC 34a_100000210258_100016998490 [0,2,0,0,0,0|1,0,0]=3 4987 B12R0.126 CCCSC/C(=C\C(=O)OC)/OC 62a_100000210303_100016998490 [0,2,0,0,0,0|1,0,0]=3 4988 B12R0.126 CCCSC/C(=C\C(=O)OC)/OC 62a_100016998490_100000210303 [0,2,0,0,0,0|1,0,0]=3 4989 B12R0.126 COC(=O)/C=C(\CNCCF)/OC 34a_100000724931_100016998490 [0,2,0,0,0,0|2,0,0]=4 4990 B12R0.126 COC(=O)/C=C(\CNCCO)/OC 2230a_100016997473_100016998490 [0,2,0,0,0,0|2,0,0]=4 4991 B12R0.126 COC(=O)/C=C(\CNCCO)/OC 34a_100016990907_100016998490 [0,2,0,0,0,0|2,0,0]=4 4992 B12R0.126 COC(=O)/C=C(\COCCBr)/OC 34a_100000211926_100016998490 [0,2,0,0,0,0|2,0,0]=4 4993 B12R0.126 COC(=O)/C=C(\COCCN)/OC 34a_100000210304_100016998490 [0,2,0,0,0,0|2,0,0]=4 4994 B12R0.126 COC(=O)/C=C(\CSCCF)/OC 62a_100011217306_100016998490 [0,2,0,0,0,0|2,0,0]=4 4995 B12R0.126 COC(=O)/C=C(\CSCCF)/OC 62a_100016998490_100011217306 [0,2,0,0,0,0|2,0,0]=4 4996 B12R0.126 COC(=O)/C=C(\CSCCO)/OC 62a_100000211926_100016998490 [0,2,0,0,0,0|2,0,0]=4 4997 B12R0.126 COC(=O)/C=C(\CSCCO)/OC 62a_100016998490_100000211926 [0,2,0,0,0,0|2,0,0]=4 4998 B12R0.126 COC(=O)/C=C(\CSCSC)/OC 62a_100011218213_100016998490 [0,2,0,0,0,0|2,0,0]=4 4999 B12R0.126 COC(=O)/C=C(\CSCSC)/OC 62a_100016998490_100011218213 [0,2,0,0,0,0|2,0,0]=4 5000 B12R0.126 COCSC/C(=C\C(=O)OC)/OC 62a_100000766300_100016998490 [0,2,0,0,0,0|2,0,0]=4 5001 B12R0.126 COCSC/C(=C\C(=O)OC)/OC 62a_100016998490_100000766300 [0,2,0,0,0,0|2,0,0]=4 5002 B12R0.176 CCCC(C)(C)COCC(=O)OC 7a_100011995695_100000747449 [0,2,0,0,0,0|1,0,1]=4 5003 B12R0.229 CCCN(CC)C/C=C/C(=O)OC 2230a_100000226822_100000742655 [0,2,0,0,0,0|1,0,0]=3 5004 B12R0.229 CCCN(CC)C/C=C/C(=O)OC 269982a_100000226822_100000742655 [0,2,0,0,0,0|1,0,0]=3 5005 B12R0.229 CCN(C/C=C/C(=O)OC)CCO 2230a_100000210973_100000742655 [0,2,0,0,0,0|2,0,0]=4 5006 B12R0.229 CCN(C/C=C/C(=O)OC)CCO 269982a_100000210973_100000742655 [0,2,0,0,0,0|2,0,0]=4 5007 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,0,0,1,0,0|0,1,1]=4 5008 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [1,0,0,1,0,0|0,0,0]=2 5009 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [1,0,0,1,0,0|1,0,0]=3 5010 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [1,0,0,1,0,0|0,0,2]=4 5011 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|0,0,2]=4 5012 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|0,0,2]=4 5013 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|1,0,1]=4 5014 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,1,0,0|1,0,1]=4 5015 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,1,0,0|1,0,1]=4 5016 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,1,0,0|1,0,1]=4 5017 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,1,0,0|1,0,1]=4 5018 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [1,0,0,1,0,0|0,0,0]=2 5019 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [1,0,0,1,0,0|1,0,0]=3 5020 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [1,0,0,1,0,0|0,0,2]=4 5021 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|0,0,2]=4 5022 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|1,0,1]=4 5023 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|1,0,1]=4 5024 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|1,0,1]=4 5025 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|1,0,1]=4 5026 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|1,0,1]=4 5027 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|0,0,2]=4 5028 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,0,0,1,0,0|1,0,1]=4 5029 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,0,0,1,0,0|1,0,1]=4 5030 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,0,0,1,0,0|1,0,1]=4 5031 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,0,0,1,0,0|1,0,1]=4 5032 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|0,0,2]=4 5033 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [1,0,0,1,0,0|0,0,2]=4 5034 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|0,0,2]=4 5035 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|0,0,2]=4 5036 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,1,0,0|1,0,1]=4 5037 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,1,0,0|1,0,1]=4 5038 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,1,0,0|1,0,1]=4 5039 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,1,0,0|1,0,1]=4 5040 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,1,0,0|1,0,1]=4 5041 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,1,0,0|1,0,1]=4 5042 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [1,0,0,1,0,0|2,0,0]=4 5043 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,1,0,0|1,0,1]=4 5044 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [1,0,0,1,0,0|0,0,2]=4 5045 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|0,0,2]=4 5046 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,1,0,0|1,0,1]=4 5047 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|1,0,1]=4 5048 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,0|1,0,1]=4 5049 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [1,0,0,1,0,0|1,0,1]=4 5050 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [1,0,0,1,0,0|2,0,0]=4 5051 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [1,0,0,1,0,0|1,0,1]=4 5052 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|0,0,2]=4 5053 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|0,0,2]=4 5054 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|1,0,1]=4 5055 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|1,0,1]=4 5056 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|1,0,1]=4 5057 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|1,0,1]=4 5058 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|0,0,2]=4 5059 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [1,0,0,1,0,0|1,0,1]=4 5060 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [1,0,0,1,0,0|1,0,1]=4 5061 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [1,0,0,1,0,0|2,0,0]=4 5062 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [1,0,0,1,0,0|2,0,0]=4 5063 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [1,0,0,1,0,0|1,0,1]=4 5064 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [1,0,0,1,0,0|1,0,1]=4 5065 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [1,0,0,1,0,0|1,0,1]=4 5066 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [1,0,0,1,0,0|1,0,1]=4 5067 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [1,0,0,1,0,0|1,0,1]=4 5068 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [1,0,0,1,0,0|2,0,0]=4 5069 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [1,0,0,1,0,0|2,0,0]=4 5070 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [1,0,0,1,0,0|2,0,0]=4 5071 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [1,0,0,1,0,0|1,0,1]=4 5072 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [1,0,0,1,0,0|1,0,1]=4 5073 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [1,0,0,1,0,0|1,0,1]=4 5074 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [1,0,0,1,0,0|1,0,1]=4 5075 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [1,0,0,1,0,0|1,0,1]=4 5076 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [1,0,0,1,0,0|1,0,1]=4 5077 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [1,0,0,1,0,0|0,0,1]=3 5078 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [1,0,0,1,0,0|0,0,1]=3 5079 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [1,0,0,1,0,0|1,0,0]=3 5080 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [1,0,0,1,0,0|2,0,0]=4 5081 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [1,0,0,1,0,0|2,0,0]=4 5082 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|1,0,1]=4 5083 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|1,0,1]=4 5084 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [1,0,0,1,0,0|1,0,0]=3 5085 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [1,0,0,1,0,0|1,0,0]=3 5086 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [1,0,0,1,0,0|1,0,0]=3 5087 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [1,0,0,1,0,0|1,0,0]=3 5088 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [1,0,0,1,0,0|2,0,0]=4 5089 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [1,0,0,1,0,0|2,0,0]=4 5090 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [1,0,0,1,0,0|2,0,0]=4 5091 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [1,0,0,1,0,0|2,0,0]=4 5092 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [1,0,0,1,0,0|2,0,0]=4 5093 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [1,0,0,1,0,0|2,0,0]=4 5094 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [1,0,0,1,0,0|1,0,1]=4 5095 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [1,0,0,1,0,0|1,0,1]=4 5096 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [1,0,0,1,0,0|1,0,1]=4 5097 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [1,0,0,1,0,0|1,0,1]=4 5098 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [1,0,0,1,0,0|2,0,0]=4 5099 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [1,0,0,1,0,0|1,0,0]=3 5100 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|1,0,1]=4 5101 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|1,0,1]=4 5102 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 5103 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 5104 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 5105 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,0,0,1,0,0|2,0,0]=4 5106 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [1,0,0,1,0,0|1,0,0]=3 5107 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [1,0,0,1,0,0|1,0,0]=3 5108 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [1,0,0,1,0,0|1,0,0]=3 5109 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [1,0,0,1,0,0|1,0,0]=3 5110 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [1,0,0,1,0,0|1,0,1]=4 5111 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [1,0,0,1,0,0|1,0,1]=4 5112 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [1,0,0,1,0,0|1,0,1]=4 5113 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [1,0,0,1,0,0|1,0,1]=4 5114 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [1,0,0,1,0,0|2,0,0]=4 5115 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 5116 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 5117 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 5118 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 5119 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [1,0,0,1,0,0|2,0,0]=4 5120 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [1,0,0,1,0,0|1,0,1]=4 5121 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [1,0,0,1,0,0|1,0,1]=4 5122 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [1,0,0,1,0,0|2,0,0]=4 5123 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [1,0,0,1,0,0|1,0,1]=4 5124 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|1,0,1]=4 5125 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [1,0,0,1,0,0|2,0,0]=4 5126 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [1,0,0,1,0,0|2,0,0]=4 5127 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 5128 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 5129 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [1,0,0,1,0,0|2,0,0]=4 5130 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,0,0,1,0,0|1,0,1]=4 5131 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,0,0,1,0,0|1,0,1]=4 5132 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,0,0,1,0,0|1,0,1]=4 5133 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,0,0,1,0,0|1,0,1]=4 5134 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 5135 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 5136 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 5137 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 5138 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [1,0,0,1,0,0|1,0,1]=4 5139 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [1,0,0,1,0,0|1,0,1]=4 5140 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [1,0,0,1,0,0|1,0,1]=4 5141 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [1,0,0,1,0,0|1,0,1]=4 5142 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [1,0,0,1,0,0|2,0,0]=4 5143 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [1,0,0,1,0,0|2,0,0]=4 5144 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [1,0,0,1,0,0|2,0,0]=4 5145 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [1,0,0,1,0,0|2,0,0]=4 5146 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [1,0,0,1,0,0|2,0,0]=4 5147 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 5148 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 5149 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 5150 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 5151 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [1,0,0,1,0,0|2,0,0]=4 5152 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [1,0,0,1,0,0|1,0,1]=4 5153 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [1,0,0,1,0,0|1,0,1]=4 5154 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [1,0,0,1,0,0|1,0,1]=4 5155 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [1,0,0,1,0,0|1,0,1]=4 5156 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [1,0,0,1,0,0|1,0,1]=4 5157 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [1,0,0,1,0,0|2,0,0]=4 5158 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [1,0,0,1,0,0|2,0,0]=4 5159 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [1,0,0,1,0,0|2,0,0]=4 5160 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [1,0,0,1,0,0|2,0,0]=4 5161 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 5162 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 5163 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 5164 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 5165 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [1,0,0,1,0,0|2,0,0]=4 5166 B10R1.153 COC(=O)C=NNC1CC1 4a_100000701032_200011823558 [1,0,0,1,0,0|2,0,0]=4 5167 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [1,0,0,1,0,0|1,0,1]=4 5168 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [1,0,0,1,0,0|1,0,1]=4 5169 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [1,0,0,1,0,0|1,0,1]=4 5170 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [1,0,0,1,0,0|1,0,1]=4 5171 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [1,0,0,1,0,0|1,0,1]=4 5172 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [1,0,0,1,0,0|1,0,1]=4 5173 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [1,0,0,1,0,0|1,0,1]=4 5174 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [1,0,0,1,0,0|1,0,1]=4 5175 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [1,0,0,1,0,0|1,0,1]=4 5176 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [1,0,0,1,0,0|1,0,1]=4 5177 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [1,0,0,1,0,0|1,0,1]=4 5178 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|1,0,1]=4 5179 B12R1.32 C#CCC(=O)C=C1CCCCC1 1458a_100000743792_100000184674 [0,1,0,1,0,0|1,0,1]=4 5180 B12R1.32 C=CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210623 [0,1,0,1,0,0|1,0,1]=4 5181 B12R1.32 CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210303 [0,1,0,1,0,0|1,0,0]=3 5182 B12R1.32 CCCC(=O)C=C1CCOCC1 1458a_100000761426_100000210303 [0,1,0,1,0,0|2,0,0]=4 5183 B12R1.32 CCNC(=O)C=C1CCCCC1 11a_100015525214_100000743792 [0,1,0,1,0,0|1,0,0]=3 5184 B12R1.32 CCNC(=O)C=C1CCCCC1 240690a_100015525214_100000743792 [0,1,0,1,0,0|1,0,0]=3 5185 B12R1.32 CCNC(=O)C=C1CCOCC1 11a_100015525214_100000761426 [0,1,0,1,0,0|2,0,0]=4 5186 B12R1.32 CCNC(=O)C=C1CCOCC1 240690a_100015525214_100000761426 [0,1,0,1,0,0|2,0,0]=4 5187 B12R1.32 CNNC(=O)C=C1CCCCC1 22a_100016993582_100000743792 [0,1,0,1,0,0|1,0,0]=3 5188 B12R1.32 CNNC(=O)C=C1CCOCC1 22a_100016993582_100000761426 [0,1,0,1,0,0|2,0,0]=4 5189 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,1,0,1,0,0|0,0,2]=4 5190 B12R1.32 COCC(=O)NC1CCCCC1 11a_100000182618_100000210968 [0,1,0,1,0,0|1,0,1]=4 5191 B12R1.32 COCC(=O)NC1CCCCC1 1626a_100000182618_100000210968 [0,1,0,1,0,0|1,0,1]=4 5192 B12R1.32 COCC(=O)NC1CCCCC1 240690a_100000182618_100000210968 [0,1,0,1,0,0|1,0,1]=4 5193 B12R1.32 COCC(=O)NC1CCCCC1 34a_100138415774_100000183541 [0,1,0,1,0,0|1,0,1]=4 5194 B12R1.32 COCC(=O)NC1CCCCC1 527a_100000182618_100000210968 [0,1,0,1,0,0|1,0,1]=4 5195 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,1,0,1,0,0|1,0,1]=4 5196 B12R1.32 N#CCC(=O)C=C1CCCCC1 1458a_100000743792_100011214920 [0,1,0,1,0,0|1,0,1]=4 5197 B12R1.32 O=C(C=C1CCCCC1)CCF 1458a_100000743792_100011217306 [0,1,0,1,0,0|1,0,0]=3 5198 B12R1.32 O=C(C=C1CCCCC1)CCO 1458a_100000743792_100000211926 [0,1,0,1,0,0|1,0,0]=3 5199 B12R1.32 O=C(C=C1CCOCC1)CCF 1458a_100000761426_100011217306 [0,1,0,1,0,0|2,0,0]=4 5200 B12R1.32 O=C(C=C1CCOCC1)CCO 1458a_100000761426_100000211926 [0,1,0,1,0,0|2,0,0]=4 5201 B12R1.37 CCCCCC=Cc1ccco1 271570a_100000062253_100009814098 [0,1,0,1,0,0|1,0,1]=4 5202 B12R1.37 CCCCCC=Cc1ccoc1 271570a_100000062253_100011215275 [0,1,0,1,0,0|1,0,1]=4 5203 B12R1.37 CCCCCC=Cc1cnco1 271570a_100000062253_100020591547 [0,1,0,1,0,0|1,0,1]=4 5204 B12R1.37 CCCCCC=Cc1cnoc1 271570a_100000062253_100009815712 [0,1,0,1,0,0|2,0,0]=4 5205 B12R1.37 CCCCCC=Cc1ncco1 271570a_100000062253_100011787736 [0,1,0,1,0,0|1,0,1]=4 5206 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,1,0,1,0,0|1,0,1]=4 5207 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,1,0,1,0,0|1,0,1]=4 5208 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,1,0,1,0,0|1,0,1]=4 5209 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,1,0,1,0,0|1,0,1]=4 5210 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,1,0,1,0,0|1,0,1]=4 5211 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,1,0,1,0,0|1,0,1]=4 5212 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,1,0,1,0,0|0,0,2]=4 5213 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,1,0,1,0,0|1,0,1]=4 5214 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,1,0,1,0,0|1,0,1]=4 5215 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,1,0,1,0,0|1,0,1]=4 5216 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,1,0,1,0,0|1,0,1]=4 5217 B12R1.51 COCC(=O)NNC1CCCC1 22a_100000737850_100000210968 [0,1,0,1,0,0|2,0,0]=4 5218 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,1,0,1,0,0|1,0,1]=4 5219 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,1,0,1,0,0|1,0,1]=4 5220 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,1,0,1,0,0|1,0,1]=4 5221 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,1,0,1,0,0|1,0,1]=4 5222 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,1,0,1,0,0|1,0,1]=4 5223 B12R1.310 CCOC(=O)/C=C/CNC1CC1 34a_100000212008_100016267167 [0,1,0,1,0,0|1,0,0]=3 5224 B12R1.310 CCOC(=O)/C=C/CSC1CC1 62a_100016267167_100000211595 [0,1,0,1,0,0|1,0,0]=3 5225 B12R1.310 CCOC(=O)C=NNCC1CC1 4a_100000736359_100000742314 [0,1,0,1,0,0|2,0,0]=4 5226 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [0,1,0,1,0,0|1,0,1]=4 5227 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,1,0,1,0,0|1,0,1]=4 5228 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,1,0,1,0,0|1,0,1]=4 5229 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [0,1,0,1,0,0|1,0,1]=4 5230 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [0,1,0,1,0,0|1,0,1]=4 5231 B12R1.315 CCOC(=O)/C=C/CN1CCC1 269982a_100000754969_100016267167 [0,1,0,1,0,0|1,0,0]=3 5232 B12R1.315 CCOC(=O)C=NNC1CCC1 4a_100000736358_100000742314 [0,1,0,1,0,0|2,0,0]=4 5233 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [0,1,0,1,0,0|1,0,1]=4 5234 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [0,1,0,1,0,0|1,0,1]=4 5235 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [0,1,0,1,0,0|1,0,1]=4 5236 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [0,1,0,1,0,0|1,0,1]=4 5237 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [0,1,0,1,0,0|1,0,1]=4 5238 B12R1.315 COCC(=O)NNCC1CCC1 22a_200020586977_100000210968 [0,1,0,1,0,0|2,0,0]=4 5239 B12R1.316 CCC1CCCN1C(=O)COC 11a_100000754278_100000210968 [0,1,0,1,0,0|1,0,1]=4 5240 B12R1.316 CCC1CCCN1C(=O)COC 1626a_100000754278_100000210968 [0,1,0,1,0,0|1,0,1]=4 5241 B12R1.316 CCC1CCCN1C(=O)COC 240690a_100000754278_100000210968 [0,1,0,1,0,0|1,0,1]=4 5242 B12R1.316 CCC1CCCN1C(=O)COC 527a_100000754278_100000210968 [0,1,0,1,0,0|1,0,1]=4 5243 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,1,0,1,0,0|1,0,1]=4 5244 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,1,0,1,0,0|1,0,1]=4 5245 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,1,0,1,0,0|1,0,1]=4 5246 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,1,0,1,0,0|1,0,1]=4 5247 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,1,0,1,0,0|1,0,1]=4 5248 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,1,0,1,0,0|1,0,1]=4 5249 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,1,0,1,0,0|1,0,1]=4 5250 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,1,0,1,0,0|1,0,1]=4 5251 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,1,0,1,0,0|1,0,1]=4 5252 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,1,0,1,0,0|1,0,1]=4 5253 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,1,0,1,0,0|1,0,1]=4 5254 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,1,0,1,0,0|1,0,1]=4 5255 B12R1.456 CCCOCc1cc(oc1C)C 34a_100000688432_100000210303 [0,1,0,1,0,0|2,0,0]=4 5256 B12R1.456 CCCOCc1cc(oc1C)C 7a_100000688432_100000210303 [0,1,0,1,0,0|2,0,0]=4 5257 B12R1.456 CCCSCc1oc(=O)oc1C 62a_100000210303_100000068490 [0,1,0,1,0,0|2,0,0]=4 5258 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,1,0,1,0,0|0,0,2]=4 5259 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,1,0,1,0,0|1,0,1]=4 5260 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,1,0,1,0,0|1,0,1]=4 5261 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,1,0,1,0,0|1,0,1]=4 5262 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,1,0,1,0,0|1,0,1]=4 5263 B12R1.923 CCCCCNNC(=O)C1CO1 22a_100000694160_100000701028 [0,1,0,1,0,0|2,0,0]=4 5264 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,1,0,1,0,0|1,0,1]=4 5265 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,1,0,1,0,0|1,0,1]=4 5266 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,1,0,1,0,0|0,0,2]=4 5267 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,1,0,1,0,0|1,0,1]=4 5268 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,1,0,1,0,0|1,0,1]=4 5269 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,1,0,1,0,0|1,0,1]=4 5270 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,1,0,1,0,0|1,0,1]=4 5271 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,1,0,1,0,0|1,0,1]=4 5272 B12R1.7 C#CCCNCC1=CC(=O)OC1 34a_100000755551_100000716558 [0,1,0,1,0,0|0,0,2]=4 5273 B12R1.7 C#CCCOCC1=CC(=O)OC1 34a_100011215631_100000716558 [0,1,0,1,0,0|0,0,2]=4 5274 B12R1.7 C#CCCSCC1=CC(=O)OC1 62a_100000688953_100000716558 [0,1,0,1,0,0|0,0,2]=4 5275 B12R1.7 C#CCCSCC1=CC(=O)OC1 62a_100000716558_100000688953 [0,1,0,1,0,0|0,0,2]=4 5276 B12R1.7 C/C=C/COCC1=CC(=O)OC1 34a_100016270725_100000716558 [0,1,0,1,0,0|0,0,2]=4 5277 B12R1.7 C/C=C/CSCC1=CC(=O)OC1 62a_100000716558_100102629194 [0,1,0,1,0,0|0,0,2]=4 5278 B12R1.7 C/C=C/CSCC1=CC(=O)OC1 62a_100102629194_100000716558 [0,1,0,1,0,0|0,0,2]=4 5279 B12R1.7 C=CCCOCC1=CC(=O)OC1 34a_100011205117_100000716558 [0,1,0,1,0,0|0,0,2]=4 5280 B12R1.7 C=CCCSCC1=CC(=O)OC1 62a_100000716558_100000754431 [0,1,0,1,0,0|0,0,2]=4 5281 B12R1.7 C=CCCSCC1=CC(=O)OC1 62a_100000754431_100000716558 [0,1,0,1,0,0|0,0,2]=4 5282 B12R1.7 CC#CCNCC1=CC(=O)OC1 34a_100000685387_100000716558 [0,1,0,1,0,0|0,0,2]=4 5283 B12R1.7 CC#CCOCC1=CC(=O)OC1 34a_100000761923_100000716558 [0,1,0,1,0,0|0,0,2]=4 5284 B12R1.7 CC#CCSCC1=CC(=O)OC1 62a_100000716558_100000748600 [0,1,0,1,0,0|0,0,2]=4 5285 B12R1.7 CC#CCSCC1=CC(=O)OC1 62a_100000748600_100000716558 [0,1,0,1,0,0|0,0,2]=4 5286 B12R1.7 CC=CCSCC1=CC(=O)OC1 62a_100000070051_100000716558 [0,1,0,1,0,0|0,0,2]=4 5287 B12R1.7 CC=CCSCC1=CC(=O)OC1 62a_100000716558_100000070051 [0,1,0,1,0,0|0,0,2]=4 5288 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,1,0,1,0,0|1,0,1]=4 5289 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,1,0,1,0,0|1,0,1]=4 5290 B12R1.7 CCCCCSc1cc(on1)C 62a_100000210326_100000716708 [0,1,0,1,0,0|2,0,0]=4 5291 B12R1.7 CCCCCSc1cc(on1)C 62a_100000716708_100000210326 [0,1,0,1,0,0|2,0,0]=4 5292 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,1,0,1,0,0|1,0,1]=4 5293 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,1,0,1,0,0|1,0,1]=4 5294 B12R1.7 CCCCNCc1cc(on1)C 207a_100000102301_100011217994 [0,1,0,1,0,0|2,0,0]=4 5295 B12R1.7 CCCCNCc1cc(on1)C 2230a_100000102301_100000199038 [0,1,0,1,0,0|2,0,0]=4 5296 B12R1.7 CCCCNCc1cc(on1)C 2230a_100000745230_100000210211 [0,1,0,1,0,0|2,0,0]=4 5297 B12R1.7 CCCCNCc1cc(on1)C 270004a_100000102301_100011217994 [0,1,0,1,0,0|2,0,0]=4 5298 B12R1.7 CCCCNCc1cc(on1)C 34a_100000745230_100000210210 [0,1,0,1,0,0|2,0,0]=4 5299 B12R1.7 CCCCNCc1cc(on1)C 7a_106832991798_100000199038 [0,1,0,1,0,0|2,0,0]=4 5300 B12R1.7 CCCCNN=C1C=C(OC1)C 4a_100025702795_200009860027 [0,1,0,1,0,0|2,0,0]=4 5301 B12R1.7 CCCCNN=C1COC(=O)C1 4a_100025702795_100000211896 [0,1,0,1,0,0|1,0,1]=4 5302 B12R1.7 CCCCOCC1=CC(=O)OC1 34a_100000210227_100000716558 [0,1,0,1,0,0|0,0,0]=2 5303 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,1,0,1,0,0|1,0,1]=4 5304 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,1,0,1,0,0|1,0,1]=4 5305 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,1,0,1,0,0|1,0,1]=4 5306 B12R1.7 CCCCOCc1cc(on1)C 34a_100000210227_100000199038 [0,1,0,1,0,0|2,0,0]=4 5307 B12R1.7 CCCCOCc1cc(on1)C 34a_100011216401_100000210210 [0,1,0,1,0,0|2,0,0]=4 5308 B12R1.7 CCCCOCc1cc(on1)C 7a_100000210227_100000199038 [0,1,0,1,0,0|2,0,0]=4 5309 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000210211_100000716558 [0,1,0,1,0,0|0,0,0]=2 5310 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000716558_100000210210 [0,1,0,1,0,0|0,0,0]=2 5311 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,1,0,1,0,0|1,0,1]=4 5312 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,1,0,1,0,0|1,0,1]=4 5313 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,1,0,1,0,0|1,0,1]=4 5314 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,1,0,1,0,0|1,0,1]=4 5315 B12R1.7 CCCCSCc1cc(on1)C 62a_100000199038_100000210210 [0,1,0,1,0,0|2,0,0]=4 5316 B12R1.7 CCCCSCc1cc(on1)C 62a_100000210211_100000199038 [0,1,0,1,0,0|2,0,0]=4 5317 B12R1.7 CCOCSCC1=CC(=O)OC1 62a_100000716558_100000739092 [0,1,0,1,0,0|1,0,0]=3 5318 B12R1.7 CCOCSCC1=CC(=O)OC1 62a_100000739092_100000716558 [0,1,0,1,0,0|1,0,0]=3 5319 B12R1.7 COCCOCC1=CC(=O)OC1 34a_100000210237_100000716558 [0,1,0,1,0,0|1,0,0]=3 5320 B12R1.7 COCCSCC1=CC(=O)OC1 62a_100000233755_100000716558 [0,1,0,1,0,0|1,0,0]=3 5321 B12R1.7 COCCSCC1=CC(=O)OC1 62a_100000716558_100000233755 [0,1,0,1,0,0|1,0,0]=3 5322 B12R1.7 CSCCOCC1=CC(=O)OC1 34a_100000230434_100000716558 [0,1,0,1,0,0|1,0,0]=3 5323 B12R1.7 CSCCSCC1=CC(=O)OC1 62a_100000212216_100000716558 [0,1,0,1,0,0|1,0,0]=3 5324 B12R1.7 CSCCSCC1=CC(=O)OC1 62a_100000716558_100000751147 [0,1,0,1,0,0|1,0,0]=3 5325 B12R1.7 N#CCCSCC1=CC(=O)OC1 62a_100000716558_100011215226 [0,1,0,1,0,0|1,0,1]=4 5326 B12R1.7 N#CCCSCC1=CC(=O)OC1 62a_100011215226_100000716558 [0,1,0,1,0,0|1,0,1]=4 5327 B12R1.7 NCCCOCC1=CC(=O)OC1 34a_100000182051_100000716558 [0,1,0,1,0,0|1,0,0]=3 5328 B12R1.7 NOCCOCC1=CC(=O)OC1 34a_100000700252_100000716558 [0,1,0,1,0,0|2,0,0]=4 5329 B12R1.7 O=C1C=C(CO1)CNCCCF 34a_100015189416_100000716558 [0,1,0,1,0,0|1,0,0]=3 5330 B12R1.7 O=C1C=C(CO1)COCCCBr 34a_100011217188_100000716558 [0,1,0,1,0,0|1,0,0]=3 5331 B12R1.7 O=C1C=C(CO1)COCCCCl 34a_100000230001_100000716558 [0,1,0,1,0,0|1,0,0]=3 5332 B12R1.7 O=C1C=C(CO1)COCCCF 34a_100000759539_100000716558 [0,1,0,1,0,0|1,0,0]=3 5333 B12R1.7 O=C1C=C(CO1)CSCCCF 62a_100000716558_100011934791 [0,1,0,1,0,0|1,0,0]=3 5334 B12R1.7 O=C1C=C(CO1)CSCCCF 62a_100011934791_100000716558 [0,1,0,1,0,0|1,0,0]=3 5335 B12R1.7 O=C1C=C(CO1)CSCCCO 62a_100000716558_100011215043 [0,1,0,1,0,0|1,0,0]=3 5336 B12R1.7 O=C1C=C(CO1)CSCCCO 62a_100011215043_100000716558 [0,1,0,1,0,0|1,0,0]=3 5337 B12R1.25 CCCCc1cccc(=O)n1C 271570a_100020621405_100000726605 [0,1,0,1,0,0|1,0,1]=4 5338 B12R1.27 CCC(=O)C=CC1=CCCCC1 1458a_100016289660_100000210202 [0,1,0,1,0,0|1,0,1]=4 5339 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,1,0,1,0,0|1,0,0]=3 5340 B12R1.27 CCC(=O)NN=C1CCCCC1 4a_100000183195_100000210434 [0,1,0,1,0,0|2,0,0]=4 5341 B12R1.27 CNC(=O)C=CC1=CCCCC1 1626a_100102657272_100016289660 [0,1,0,1,0,0|1,0,1]=4 5342 B12R1.27 CNC(=O)C=CC1=CCCCC1 240690a_100102657272_100016289660 [0,1,0,1,0,0|1,0,1]=4 5343 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,1,0,1,0,0|1,0,0]=3 5344 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,1,0,1,0,0|1,0,0]=3 5345 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,1,0,1,0,0|1,0,0]=3 5346 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,1,0,1,0,0|0,0,2]=4 5347 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,1,0,1,0,0|0,0,2]=4 5348 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,1,0,1,0,0|1,0,1]=4 5349 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,1,0,1,0,0|1,0,1]=4 5350 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [0,1,0,1,0,0|1,0,1]=4 5351 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [0,1,0,1,0,0|1,0,1]=4 5352 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [0,1,0,1,0,0|1,0,1]=4 5353 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [0,1,0,1,0,0|1,0,1]=4 5354 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,1,0,1,0,0|0,0,2]=4 5355 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,1,0,1,0,0|0,0,2]=4 5356 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,1,0,1,0,0|1,0,1]=4 5357 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,1,0,1,0,0|1,0,1]=4 5358 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [0,1,0,1,0,0|1,0,1]=4 5359 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [0,1,0,1,0,0|1,0,1]=4 5360 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [0,1,0,1,0,0|1,0,1]=4 5361 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [0,1,0,1,0,0|1,0,1]=4 5362 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,1,0,1,0,0|0,0,2]=4 5363 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,1,0,1,0,0|0,0,2]=4 5364 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,1,0,1,0,0|1,0,1]=4 5365 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [0,1,0,1,0,0|1,0,1]=4 5366 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [0,1,0,1,0,0|1,0,1]=4 5367 B12R1.27 O=C(C=CC1CCCCC1)CF 1458a_100102566626_100015361967 [0,1,0,1,0,0|2,0,0]=4 5368 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|0,0,2]=4 5369 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|0,0,2]=4 5370 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|0,0,2]=4 5371 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,1,0,1,0,0|0,0,2]=4 5372 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,1,0,1,0,0|0,0,2]=4 5373 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,1,0,1,0,0|0,0,2]=4 5374 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,1,0,1,0,0|0,0,2]=4 5375 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,1,0,1,0,0|0,0,2]=4 5376 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,1,0,1,0,0|0,0,2]=4 5377 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,1,0,1,0,0|0,0,2]=4 5378 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [0,1,0,1,0,0|0,0,2]=4 5379 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [0,1,0,1,0,0|0,0,2]=4 5380 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [0,1,0,1,0,0|0,0,2]=4 5381 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747449 [0,1,0,1,0,0|1,0,1]=4 5382 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747449 [0,1,0,1,0,0|1,0,1]=4 5383 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000747449 [0,1,0,1,0,0|1,0,1]=4 5384 B12R1.163 COCC1CCN1CC(=O)OC 2230a_100015195929_100000747449 [0,1,0,1,0,0|1,0,1]=4 5385 B12R1.163 COCC1CCN1CC(=O)OC 269982a_100015195929_100000747449 [0,1,0,1,0,0|1,0,1]=4 5386 B12R1.163 COCC1CCN1CC(=O)OC 34a_100015195929_100000747449 [0,1,0,1,0,0|1,0,1]=4 5387 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,1,0,1,0,0|0,0,2]=4 5388 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,1,0,1,0,0|0,0,2]=4 5389 B12R1.291 CCCN1CCSC1C(=O)OC 2230a_100015296106_100000210303 [0,1,0,1,0,0|1,0,1]=4 5390 B12R1.291 CCCN1CCSC1C(=O)OC 269982a_100015296106_100000210303 [0,1,0,1,0,0|1,0,1]=4 5391 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,1,0,1,0,0|0,0,2]=4 5392 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,1,0,1,0,0|0,0,2]=4 5393 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [0,1,0,1,0,0|0,0,2]=4 5394 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [0,1,0,1,0,0|0,0,2]=4 5395 B12R1.353 CCC(=O)NN=C1CCCC1C 4a_100000183195_100000752053 [0,1,0,1,0,0|2,0,0]=4 5396 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [0,1,0,1,0,0|0,0,2]=4 5397 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [0,1,0,1,0,0|0,0,2]=4 5398 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [0,1,0,1,0,0|0,0,2]=4 5399 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [0,1,0,1,0,0|0,0,2]=4 5400 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [0,1,0,1,0,0|0,0,2]=4 5401 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,1,0,1,0,0|0,0,2]=4 5402 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,1,0,1,0,0|0,0,2]=4 5403 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000747449 [0,1,0,1,0,0|1,0,1]=4 5404 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000747449 [0,1,0,1,0,0|1,0,1]=4 5405 B12R1.353 COC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000747449 [0,1,0,1,0,0|1,0,1]=4 5406 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747449_200016002552 [0,1,0,1,0,0|1,0,1]=4 5407 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747449 [0,1,0,1,0,0|1,0,1]=4 5408 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000742655 [0,1,0,1,0,0|1,0,0]=3 5409 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@H]1F 2230a_100025746932_100000742655 [0,1,0,1,0,0|1,0,0]=3 5410 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@H]1F 34a_100025746932_100000742655 [0,1,0,1,0,0|1,0,0]=3 5411 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,1,0,1,0,0|0,0,2]=4 5412 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,1,0,1,0,0|0,0,2]=4 5413 B12R1.356 COC(=O)/C=C/CNC1CCC1 2230a_100000749019_100000742655 [0,1,0,1,0,0|0,0,0]=2 5414 B12R1.356 COC(=O)/C=C/CNC1CCC1 34a_100000749019_100000742655 [0,1,0,1,0,0|0,0,0]=2 5415 B12R1.356 COC(=O)/C=C/CNC1COC1 2230a_100016991112_100000742655 [0,1,0,1,0,0|1,0,0]=3 5416 B12R1.356 COC(=O)/C=C/COC1CCC1 34a_100000748187_100000742655 [0,1,0,1,0,0|0,0,0]=2 5417 B12R1.356 COC(=O)/C=C/COC1CSC1 7a_100000072292_100000742655 [0,1,0,1,0,0|1,0,0]=3 5418 B12R1.356 COC(=O)/C=C/CSC1CCC1 62a_100000742655_100000749161 [0,1,0,1,0,0|0,0,0]=2 5419 B12R1.356 COC(=O)/C=C/CSC1COC1 62a_100000742655_100009818527 [0,1,0,1,0,0|1,0,0]=3 5420 B12R1.356 COC(=O)C=NNCC1CCC1 4a_200020586977_200011823558 [0,1,0,1,0,0|1,0,0]=3 5421 B12R1.356 COC(=O)CC=NNC1CCC1 4a_100000736358_200011552997 [0,1,0,1,0,0|1,0,1]=4 5422 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,1,0,1,0,0|0,0,2]=4 5423 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [0,1,0,1,0,0|0,0,2]=4 5424 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [0,1,0,1,0,0|0,0,2]=4 5425 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,1,0,1,0,0|0,0,2]=4 5426 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [0,1,0,1,0,0|0,0,2]=4 5427 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [0,1,0,1,0,0|0,0,2]=4 5428 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [0,1,0,1,0,0|0,0,2]=4 5429 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,1,0,1,0,0|0,0,2]=4 5430 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [0,1,0,1,0,0|0,0,2]=4 5431 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [0,1,0,1,0,0|0,0,2]=4 5432 B12R1.356 COC(=O)COCCC1COC1 34a_100009855314_100000747449 [0,1,0,1,0,0|1,0,1]=4 5433 B12R1.356 COC(=O)NCCOC1CCC1 34a_100000757965_100000749161 [0,1,0,1,0,0|1,0,1]=4 5434 B12R1.356 COC(=O)OCCOC1CCC1 34a_100010262106_100000749161 [0,1,0,1,0,0|1,0,1]=4 5435 B12R1.356 COC(=O)OCSCC1CCC1 62a_100000763275_100000139417 [0,1,0,1,0,0|1,0,1]=4 5436 B12R1.360 COC(=O)/C=C/CNCC1CC1 2230a_100000735609_100000742655 [0,1,0,1,0,0|0,0,0]=2 5437 B12R1.360 COC(=O)/C=C/CNCC1CC1 34a_100000735609_100000742655 [0,1,0,1,0,0|0,0,0]=2 5438 B12R1.360 COC(=O)/C=C/COCC1CC1 34a_100000211283_100000742655 [0,1,0,1,0,0|0,0,0]=2 5439 B12R1.360 COC(=O)/C=C/COC[C@@H]1CO1 34a_100000757423_100000742655 [0,1,0,1,0,0|1,0,0]=3 5440 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000742655_100000742324 [0,1,0,1,0,0|0,0,0]=2 5441 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000756562_100000742655 [0,1,0,1,0,0|0,0,0]=2 5442 B12R1.360 COC(=O)/C=C/CSCC1CO1 62a_100000742655_102125554688 [0,1,0,1,0,0|1,0,0]=3 5443 B12R1.360 COC(=O)/C=C/CSCC1CO1 62a_102125554688_100000742655 [0,1,0,1,0,0|1,0,0]=3 5444 B12R1.360 COC(=O)/C=C/CSCC1CS1 62a_100000031435_100000742655 [0,1,0,1,0,0|1,0,0]=3 5445 B12R1.360 COC(=O)/C=C/CSCC1CS1 62a_100000742655_100000031435 [0,1,0,1,0,0|1,0,0]=3 5446 B12R1.360 COC(=O)/C=C/CSC[C@@H]1CO1 62a_100000742655_100000745022 [0,1,0,1,0,0|1,0,0]=3 5447 B12R1.360 COC(=O)/C=C/CSC[C@@H]1CO1 62a_100000745022_100000742655 [0,1,0,1,0,0|1,0,0]=3 5448 B12R1.360 COC(=O)C=CC=NNC1CC1 4a_100000701032_100016254430 [0,1,0,1,0,0|1,0,1]=4 5449 B12R1.360 COC(=O)CC=NNCC1CC1 4a_100000736359_200011552997 [0,1,0,1,0,0|1,0,1]=4 5450 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [0,1,0,1,0,0|0,0,2]=4 5451 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [0,1,0,1,0,0|0,0,2]=4 5452 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [0,1,0,1,0,0|0,0,2]=4 5453 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [0,1,0,1,0,0|0,0,2]=4 5454 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [0,1,0,1,0,0|0,0,2]=4 5455 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,1,0,1,0,0|0,0,2]=4 5456 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [0,1,0,1,0,0|0,0,2]=4 5457 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [0,1,0,1,0,0|0,0,2]=4 5458 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [0,1,0,1,0,0|0,0,2]=4 5459 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,1,0,1,0,0|0,0,2]=4 5460 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,1,0,1,0,0|0,0,2]=4 5461 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [0,1,0,1,0,0|0,0,2]=4 5462 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [0,1,0,1,0,0|0,0,2]=4 5463 B12R1.360 COC(=O)COCCNC1CC1 34a_100000212008_100000090808 [0,1,0,1,0,0|1,0,1]=4 5464 B12R1.360 COC(=O)COCCNC1CC1 34a_100000738766_100000747449 [0,1,0,1,0,0|1,0,1]=4 5465 B12R1.360 COC(=O)COCCSC1CC1 62a_100000090808_100000211595 [0,1,0,1,0,0|1,0,1]=4 5466 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000733510_100000747449 [0,1,0,1,0,0|1,0,1]=4 5467 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000747449_100000733510 [0,1,0,1,0,0|1,0,1]=4 5468 B12R1.360 COC(=O)NCCOCC1CC1 34a_100000757965_100000742324 [0,1,0,1,0,0|1,0,1]=4 5469 B12R1.360 COC(=O)OCCOCC1CC1 34a_100010262106_100000742324 [0,1,0,1,0,0|1,0,1]=4 5470 B12R1.360 COC(=O)OCSCCC1CC1 62a_100000764125_100000139417 [0,1,0,1,0,0|1,0,1]=4 5471 B12R1.364 COC(=O)/C=C/CN1CCC1C 269982a_100000755817_100000742655 [0,1,0,1,0,0|0,0,0]=2 5472 B12R1.364 COC(=O)/C=C/CN1CCC1C 34a_100000755817_100000742655 [0,1,0,1,0,0|0,0,0]=2 5473 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [0,1,0,1,0,0|0,0,2]=4 5474 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [0,1,0,1,0,0|0,0,2]=4 5475 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [0,1,0,1,0,0|1,0,1]=4 5476 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,1,0,1,0,0|0,0,2]=4 5477 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,1,0,1,0,0|0,0,2]=4 5478 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,1,0,1,0,0|0,0,2]=4 5479 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747449 [0,1,0,1,0,0|1,0,1]=4 5480 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747449 [0,1,0,1,0,0|1,0,1]=4 5481 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000747449 [0,1,0,1,0,0|1,0,1]=4 5482 B12R1.382 CCCCc1cc(ccn1)OC 271570a_100020621405_100011216251 [0,1,0,1,0,0|1,0,1]=4 5483 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [0,1,0,1,0,0|1,0,1]=4 5484 B12R1.382 CCCCc1cccc(n1)OC 271570a_100020621405_100000760917 [0,1,0,1,0,0|1,0,1]=4 5485 B12R1.382 CCCCc1ccnc(c1)OC 271570a_100020621405_100000117307 [0,1,0,1,0,0|1,0,1]=4 5486 B12R1.382 CCCCc1ccnc(n1)OC 271570a_100020621405_100000069072 [0,1,0,1,0,0|1,0,1]=4 5487 B12R1.382 CCCCc1cncc(c1)OC 271570a_100020621405_100000684773 [0,1,0,1,0,0|1,0,1]=4 5488 B12R1.382 CCCCc1cncc(n1)OC 271570a_100020621405_100000756030 [0,1,0,1,0,0|1,0,1]=4 5489 B12R1.382 CCCCc1nccc(n1)OC 271570a_100020621405_100000182009 [0,1,0,1,0,0|1,0,1]=4 5490 B12R1.455 CCCCSc1cc(on1)C=O 62a_100000210211_100009819588 [0,1,0,1,0,0|2,0,0]=4 5491 B12R1.455 CCCCSc1cc(on1)C=O 62a_100009819588_100000210210 [0,1,0,1,0,0|2,0,0]=4 5492 B12R1.455 CCCCSc1cnc(s1)OC 62a_100000210211_100000729428 [0,1,0,1,0,0|1,1,0]=4 5493 B12R1.455 CCCCSc1cnc(s1)OC 62a_100000729428_100000210210 [0,1,0,1,0,0|1,1,0]=4 5494 B12R1.455 CCCCSc1coc(c1)C=O 62a_100000210211_100000747035 [0,1,0,1,0,0|1,0,1]=4 5495 B12R1.455 CCCCSc1coc(c1)C=O 62a_100000747035_100000210210 [0,1,0,1,0,0|1,0,1]=4 5496 B12R1.455 CCCCSc1csc(n1)OC 62a_100000210211_100000727839 [0,1,0,1,0,0|2,0,0]=4 5497 B12R1.455 CCCCSc1csc(n1)OC 62a_100000727839_100000210210 [0,1,0,1,0,0|2,0,0]=4 5498 B12R1.477 CCC(=O)NN=CC1CCCC1 4a_100000183195_100000746403 [0,1,0,1,0,0|2,0,0]=4 5499 B12R1.477 COC(=O)/C=C/CN1CC=CC1 269982a_100015195280_100000742655 [0,1,0,1,0,0|0,0,2]=4 5500 B12R1.477 COC(=O)/C=C/CN1CCCC1 2230a_100000188435_100000742655 [0,1,0,1,0,0|0,0,0]=2 5501 B12R1.477 COC(=O)/C=C/CN1CCCC1 269982a_100000188435_100000742655 [0,1,0,1,0,0|0,0,0]=2 5502 B12R1.477 COC(=O)/C=C/CN1CCSC1 2230a_100011215254_100000742655 [0,1,0,1,0,0|1,0,0]=3 5503 B12R1.477 COC(=O)/C=C/CN1CCSC1 269982a_100011215254_100000742655 [0,1,0,1,0,0|1,0,0]=3 5504 B12R1.477 COC(=O)C=NNC1CCCC1 4a_100000737850_200011823558 [0,1,0,1,0,0|1,0,0]=3 5505 B12R1.477 COC(=O)C=NNC1CCOC1 4a_100000690549_200011823558 [0,1,0,1,0,0|2,0,0]=4 5506 B12R1.477 COC(=O)C=NNC1CCSC1 4a_200000731317_200011823558 [0,1,0,1,0,0|2,0,0]=4 5507 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,1,0,1,0,0|0,0,2]=4 5508 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,1,0,1,0,0|0,0,2]=4 5509 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,1,0,1,0,0|0,0,2]=4 5510 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,1,0,1,0,0|0,0,2]=4 5511 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,1,0,1,0,0|0,0,2]=4 5512 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,1,0,1,0,0|0,0,2]=4 5513 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,1,0,1,0,0|0,0,2]=4 5514 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,1,0,1,0,0|0,0,2]=4 5515 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,1,0,1,0,0|0,0,2]=4 5516 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,1,0,1,0,0|0,0,2]=4 5517 B12R1.477 COC(=O)CNCC1CCOC1 2230a_100000737293_100000747449 [0,1,0,1,0,0|1,0,1]=4 5518 B12R1.477 COC(=O)CNCC1CCOC1 34a_100000737293_100000747449 [0,1,0,1,0,0|1,0,1]=4 5519 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [0,1,0,1,0,0|1,0,1]=4 5520 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [0,1,0,1,0,0|1,0,1]=4 5521 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,1,0,1,0,0|0,0,2]=4 5522 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,1,0,1,0,0|0,0,2]=4 5523 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [0,1,0,1,0,0|1,0,1]=4 5524 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [0,1,0,1,0,0|1,0,1]=4 5525 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [0,1,0,1,0,0|1,0,1]=4 5526 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [0,1,0,1,0,0|1,0,1]=4 5527 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [0,1,0,1,0,0|1,0,1]=4 5528 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,1,0,1,0,0|0,0,2]=4 5529 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,1,0,1,0,0|0,0,2]=4 5530 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [0,1,0,1,0,0|1,0,1]=4 5531 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [0,1,0,1,0,0|1,0,1]=4 5532 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000702531_100000747449 [0,1,0,1,0,0|1,0,1]=4 5533 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000747449_100000702531 [0,1,0,1,0,0|1,0,1]=4 5534 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,1,0,1,0,0|1,0,1]=4 5535 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [0,1,0,1,0,0|0,0,2]=4 5536 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,1,0,1,0,0|1,0,0]=3 5537 B12R1.1748 CNC(=O)C=C1CCCCCC1 11a_106832991635_100011240665 [0,1,0,1,0,0|1,0,0]=3 5538 B12R1.1748 CNC(=O)C=C1CCCCCC1 1626a_100102657272_100011240665 [0,1,0,1,0,0|1,0,0]=3 5539 B12R1.1748 CNC(=O)C=C1CCCCCC1 240690a_100102657272_100011240665 [0,1,0,1,0,0|1,0,0]=3 5540 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,1,0,1,0,0|0,0,2]=4 5541 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,1,0,1,0,0|0,0,2]=4 5542 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,1,0,1,0,0|0,0,2]=4 5543 B12R1.1748 COC(=O)CN1CCCOCC1 2230a_100000685342_100000747449 [0,1,0,1,0,0|1,0,1]=4 5544 B12R1.1748 COC(=O)CN1CCCOCC1 269982a_100000685342_100000747449 [0,1,0,1,0,0|1,0,1]=4 5545 B12R1.1748 COC(=O)CN1CCCOCC1 34a_100000685342_100000747449 [0,1,0,1,0,0|1,0,1]=4 5546 B12R1.1748 O=C(C=C1CCCCCC1)CF 1458a_100011240665_100015361967 [0,1,0,1,0,0|2,0,0]=4 5547 B12R1.43 CC(C)C(=O)C=C1CCCCC1 1458a_100000743792_100000210206 [0,1,0,1,0,0|1,0,0]=3 5548 B12R1.43 CC(C)C(=O)C=C1CCOCC1 1458a_100000761426_100000210206 [0,1,0,1,0,0|2,0,0]=4 5549 B12R1.43 CN(C)C(=O)C=C1CCCCC1 11a_100102631434_100000743792 [0,1,0,1,0,0|1,0,0]=3 5550 B12R1.43 CN(C)C(=O)C=C1CCCCC1 1626a_100102631434_100000743792 [0,1,0,1,0,0|1,0,0]=3 5551 B12R1.43 CN(C)C(=O)C=C1CCCCC1 240690a_100102631434_100000743792 [0,1,0,1,0,0|1,0,0]=3 5552 B12R1.43 CN(C)C(=O)C=C1CCOCC1 11a_100102631434_100000761426 [0,1,0,1,0,0|2,0,0]=4 5553 B12R1.43 CN(C)C(=O)C=C1CCOCC1 240690a_100102631434_100000761426 [0,1,0,1,0,0|2,0,0]=4 5554 B12R1.385 CCCCc1ccc(=O)n(c1)C 271570a_100020621405_100011245003 [0,1,0,1,0,0|1,0,1]=4 5555 B12R1.385 CCCCc1ccc(=O)n(n1)C 271570a_100020621405_100009820752 [0,1,0,1,0,0|1,0,1]=4 5556 B12R1.26 CC(CF)OCC1=CC(=O)OC1 34a_100016041109_100000716558 [0,1,0,1,0,0|2,0,0]=4 5557 B12R1.26 CC(CN)OCC1=CC(=O)OC1 34a_100000210904_100000716558 [0,1,0,1,0,0|2,0,0]=4 5558 B12R1.26 CC(CO)SCC1=CC(=O)OC1 62a_100012180447_100000716558 [0,1,0,1,0,0|2,0,0]=4 5559 B12R1.26 CCC(C)SCC1=CC(=O)OC1 62a_100000716558_100000758301 [0,1,0,1,0,0|1,0,0]=3 5560 B12R1.26 CCC(C)SCC1=CC(=O)OC1 62a_100000758301_100000716558 [0,1,0,1,0,0|1,0,0]=3 5561 B12R1.26 COC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000747449 [0,1,0,1,0,0|1,0,1]=4 5562 B12R1.26 COC(=O)COC1CCC(C1)C 34a_100000698185_100000747449 [0,1,0,1,0,0|1,0,1]=4 5563 B12R1.26 COC(C)SCC1=CC(=O)OC1 62a_100000716558_100009879195 [0,1,0,1,0,0|2,0,0]=4 5564 B12R1.26 COC(C)SCC1=CC(=O)OC1 62a_100009879195_100000716558 [0,1,0,1,0,0|2,0,0]=4 5565 B12R1.26 C[C@H](CO)SCC1=CC(=O)OC1 62a_100000716558_100016084084 [0,1,0,1,0,0|2,0,0]=4 5566 B12R1.26 C[C@H](CO)SCC1=CC(=O)OC1 62a_100016084084_100000716558 [0,1,0,1,0,0|2,0,0]=4 5567 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,1,0,1,0,0|1,0,1]=4 5568 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,1,0,1,0,0|1,0,1]=4 5569 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,1,0,1,0,0|1,0,1]=4 5570 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,1,0,1,0,0|1,0,1]=4 5571 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,1,0,1,0,0|1,0,1]=4 5572 B12R1.71 CCCCc1ccc(cn1)OC 271570a_100020621405_100000755202 [0,1,0,1,0,0|1,0,1]=4 5573 B12R1.71 CCCCc1ccc(nc1)OC 271570a_100020621405_100000047065 [0,1,0,1,0,0|1,0,1]=4 5574 B12R1.71 CCCCc1ccc(nn1)OC 271570a_100020621405_100009819040 [0,1,0,1,0,0|1,0,1]=4 5575 B12R1.908 CNC(=O)C=CC(=O)C1CCC1 1458a_100016259477_100000749161 [0,1,0,1,0,0|1,0,1]=4 5576 B12R1.908 COC(=O)CNC(C)C1CCC1 2230a_100016994624_100000747449 [0,1,0,1,0,0|1,0,1]=4 5577 B12R1.908 COC(=O)CNC(C)C1CCC1 34a_100016994624_100000747449 [0,1,0,1,0,0|1,0,1]=4 5578 B12R1.908 COC(=O)COC(C)C1CCC1 34a_100000766398_100000747449 [0,1,0,1,0,0|1,0,1]=4 5579 B12R1.908 COC(=O)COC(C)C1CCC1 7a_100000766398_100000747449 [0,1,0,1,0,0|1,0,1]=4 5580 B12R1.910 CNC(=O)C=CC(=O)CC1CC1 1458a_100016259477_100000742324 [0,1,0,1,0,0|1,0,1]=4 5581 B12R1.910 COC(=O)C=CC(=O)NC1CC1 1626a_100000212008_100016283253 [0,1,0,1,0,0|1,0,1]=4 5582 B12R1.1677 COC(=O)COC1(CCCC1)C 34a_100000751722_100000747449 [0,1,0,1,0,0|1,0,1]=4 5583 B12R1.1677 COC(=O)COC1(CCCC1)C 7a_100000751722_100000747449 [0,1,0,1,0,0|1,0,1]=4 5584 B12R1.2217 COC(=O)CN1C(CCC1C)C 2230a_100000687148_100000747449 [0,1,0,1,0,0|1,0,1]=4 5585 B12R1.2217 COC(=O)CN1C(CCC1C)C 269982a_100000687148_100000747449 [0,1,0,1,0,0|1,0,1]=4 5586 B12R1.2217 COC(=O)CN1C(CCC1C)C 34a_100000687148_100000747449 [0,1,0,1,0,0|1,0,1]=4 5587 B12R1.49 CC1CCC(=CC(=O)CF)CC1 1458a_100000756110_100015361967 [0,1,0,1,0,0|2,0,0]=4 5588 B12R1.49 CCC(=O)C=C1CCC(CC1)C 1458a_100000756110_100000210202 [0,1,0,1,0,0|1,0,0]=3 5589 B12R1.49 CCC(=O)C=C1CCN(CC1)C 1458a_100000699038_100000210202 [0,1,0,1,0,0|2,0,0]=4 5590 B12R1.49 CNC(=O)C=C1CCC(CC1)C 11a_106832991635_100000756110 [0,1,0,1,0,0|1,0,0]=3 5591 B12R1.49 CNC(=O)C=C1CCC(CC1)C 1626a_100102657272_100000756110 [0,1,0,1,0,0|1,0,0]=3 5592 B12R1.49 CNC(=O)C=C1CCC(CC1)C 240690a_100102657272_100000756110 [0,1,0,1,0,0|1,0,0]=3 5593 B12R1.49 CNC(=O)C=C1CCN(CC1)C 11a_106832991635_100000699038 [0,1,0,1,0,0|2,0,0]=4 5594 B12R1.49 CNC(=O)C=C1CCN(CC1)C 240690a_100102657272_100000699038 [0,1,0,1,0,0|2,0,0]=4 5595 B12R1.49 COC(=O)CN1CCC(CC1)C 2230a_100000188429_100000747449 [0,1,0,1,0,0|1,0,1]=4 5596 B12R1.49 COC(=O)CN1CCC(CC1)C 269982a_100000188429_100000747449 [0,1,0,1,0,0|1,0,1]=4 5597 B12R1.49 COC(=O)CN1CCC(CC1)C 34a_100000188429_100000747449 [0,1,0,1,0,0|1,0,1]=4 5598 B12R1.49 COC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747449 [0,1,0,1,0,0|1,0,1]=4 5599 B12R1.49 COC(=O)CN1CCC(CC1)F 269982a_100015193889_100000747449 [0,1,0,1,0,0|1,0,1]=4 5600 B12R1.49 COC(=O)CN1CCC(CC1)F 34a_100015193889_100000747449 [0,1,0,1,0,0|1,0,1]=4 5601 B12R1.49 COC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747449 [0,1,0,1,0,0|1,0,1]=4 5602 B12R1.49 COC(=O)CN1CCC(CC1)O 269982a_100025773856_100000747449 [0,1,0,1,0,0|1,0,1]=4 5603 B12R1.1686 COC(=O)/C=C/CNC1(CC1)C 2230a_100000757604_100000742655 [0,1,0,1,0,0|1,0,0]=3 5604 B12R1.1686 COC(=O)/C=C/COC1(CC1)C 7a_100011725673_100000742655 [0,1,0,1,0,0|1,0,0]=3 5605 B12R1.50 COC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747449 [0,1,0,1,0,0|1,0,1]=4 5606 B12R1.50 COC(=O)CN1CCCC(C1)F 269982a_100000697950_100000747449 [0,1,0,1,0,0|1,0,1]=4 5607 B12R1.50 COC(=O)CN1CCCC(C1)F 34a_100000697950_100000747449 [0,1,0,1,0,0|1,0,1]=4 5608 B12R1.50 COC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747449 [0,1,0,1,0,0|1,0,1]=4 5609 B12R1.50 COC(=O)CN1CCCC(C1)O 269982a_100000211013_100000747449 [0,1,0,1,0,0|1,0,1]=4 5610 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000747449 [0,1,0,1,0,0|1,0,1]=4 5611 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747449 [0,1,0,1,0,0|1,0,1]=4 5612 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000747449 [0,1,0,1,0,0|1,0,1]=4 5613 B12R1.105 C=C(C)COCC1=CC(=O)OC1 34a_100000210245_100000716558 [0,1,0,1,0,0|1,0,1]=4 5614 B12R1.105 C=C(C)CSCC1=CC(=O)OC1 62a_100000716558_100000211660 [0,1,0,1,0,0|1,0,1]=4 5615 B12R1.105 C=C(C)CSCC1=CC(=O)OC1 62a_100000748629_100000716558 [0,1,0,1,0,0|1,0,1]=4 5616 B12R1.105 CC(=O)COCC1=CC(=O)OC1 34a_100000211253_100000716558 [0,1,0,1,0,0|1,0,1]=4 5617 B12R1.105 CC(Br)COCC1=CC(=O)OC1 34a_100012180447_100000716558 [0,1,0,1,0,0|1,0,0]=3 5618 B12R1.105 CC(C)CNCC1=CC(=O)OC1 34a_100000210953_100000716558 [0,1,0,1,0,0|1,0,0]=3 5619 B12R1.105 CC(C)COCC1=CC(=O)OC1 34a_100000210257_100000716558 [0,1,0,1,0,0|1,0,0]=3 5620 B12R1.105 CC(C)CSCC1=CC(=O)OC1 62a_100000210624_100000716558 [0,1,0,1,0,0|1,0,0]=3 5621 B12R1.105 CC(C)CSCC1=CC(=O)OC1 62a_100000716558_100000210760 [0,1,0,1,0,0|1,0,0]=3 5622 B12R1.105 CC(F)COCC1=CC(=O)OC1 34a_100015925927_100000716558 [0,1,0,1,0,0|1,0,0]=3 5623 B12R1.105 CC(O)CNCC1=CC(=O)OC1 34a_100000210904_100000716558 [0,1,0,1,0,0|1,0,0]=3 5624 B12R1.105 CC(O)CSCC1=CC(=O)OC1 62a_100000716558_100011218427 [0,1,0,1,0,0|1,0,0]=3 5625 B12R1.105 CC(O)CSCC1=CC(=O)OC1 62a_100011218427_100000716558 [0,1,0,1,0,0|1,0,0]=3 5626 B12R1.105 C[C@@H](Cl)COCC1=CC(=O)OC1 34a_100016084084_100000716558 [0,1,0,1,0,0|1,0,0]=3 5627 B12R1.105 C[C@@H](N)COCC1=CC(=O)OC1 34a_100000737577_100000716558 [0,1,0,1,0,0|1,0,0]=3 5628 B12R1.105 C[C@@H](O)CSCC1=CC(=O)OC1 62a_100000716558_100009817552 [0,1,0,1,0,0|1,0,0]=3 5629 B12R1.105 C[C@@H](O)CSCC1=CC(=O)OC1 62a_100009817552_100000716558 [0,1,0,1,0,0|1,0,0]=3 5630 B12R1.105 O=C1C=C(CO1)CNCC(F)F 34a_100000765723_100000716558 [0,1,0,1,0,0|2,0,0]=4 5631 B12R1.105 O=C1C=C(CO1)COCC(F)F 34a_100000743014_100000716558 [0,1,0,1,0,0|2,0,0]=4 5632 B12R1.105 O=C1C=C(CO1)CSCC(F)F 62a_100000716558_100011934356 [0,1,0,1,0,0|2,0,0]=4 5633 B12R1.105 O=C1C=C(CO1)CSCC(F)F 62a_100011934356_100000716558 [0,1,0,1,0,0|2,0,0]=4 5634 B12R1.394 COC(=O)/C=C/CN1CC(C1)C 2230a_100000702820_100000742655 [0,1,0,1,0,0|1,0,0]=3 5635 B12R1.394 COC(=O)/C=C/CN1CC(C1)C 269982a_100000702820_100000742655 [0,1,0,1,0,0|1,0,0]=3 5636 B12R1.394 COC(=O)/C=C/CN1CC(C1)C 34a_100000702820_100000742655 [0,1,0,1,0,0|1,0,0]=3 5637 B12R1.394 COC(=O)/C=C/CN1CC(C1)F 2230a_100000690557_100000742655 [0,1,0,1,0,0|1,0,0]=3 5638 B12R1.394 COC(=O)/C=C/CN1CC(C1)F 269982a_100000690557_100000742655 [0,1,0,1,0,0|1,0,0]=3 5639 B12R1.394 COC(=O)/C=C/CN1CC(C1)F 34a_100000690557_100000742655 [0,1,0,1,0,0|1,0,0]=3 5640 B12R1.394 COC(=O)/C=C/CN1CC(C1)O 269982a_100000749847_100000742655 [0,1,0,1,0,0|1,0,0]=3 5641 B12R1.394 COC(=O)CNCC1CC(C1)O 2230a_100016992100_100000747449 [0,1,0,1,0,0|1,0,1]=4 5642 B12R1.394 COC(=O)COCC1CC(C1)Cl 34a_100009874164_100000747449 [0,1,0,1,0,0|1,0,1]=4 5643 B12R1.534 COC(=O)CN1CCCC1(C)C 2230a_100000761399_100000747449 [0,1,0,1,0,0|1,0,1]=4 5644 B12R1.534 COC(=O)CN1CCCC1(C)C 269982a_100000761399_100000747449 [0,1,0,1,0,0|1,0,1]=4 5645 B12R1.534 COC(=O)CN1CCCC1(C)C 34a_100000761399_100000747449 [0,1,0,1,0,0|1,0,1]=4 5646 B12R1.1848 COC(=O)COCC1CC1(C)C 34a_100000728257_100000747449 [0,1,0,1,0,0|1,0,1]=4 5647 B12R1.1848 COC(=O)COCC1CC1(C)C 7a_100000728257_100000747449 [0,1,0,1,0,0|1,0,1]=4 5648 B12R1.34 CCC(=O)C(=O)N1CCCCC1 1458a_200011297168_100000210202 [0,1,0,1,0,0|2,0,0]=4 5649 B12R1.34 CNC(=O)C(=O)C1CCCCC1 1458a_100011218921_100000210327 [0,1,0,1,0,0|1,0,1]=4 5650 B12R1.34 CNC(=O)C(=O)N1CCCCC1 1626a_100102657272_200011297168 [0,1,0,1,0,0|2,0,0]=4 5651 B12R1.34 CNC(=O)C(=O)N1CCCCC1 240690a_100102657272_200011297168 [0,1,0,1,0,0|2,0,0]=4 5652 B12R1.34 CNC(=O)C(=O)N1CCCCC1 527a_100102657272_200011297168 [0,1,0,1,0,0|2,0,0]=4 5653 B12R1.34 COC(=O)C(=O)N1CCCOC1 11a_100000131196_100000024059 [0,1,0,1,0,0|2,0,0]=4 5654 B12R1.34 COC(=O)C(=O)N1CCCOC1 240690a_100000131196_100000024059 [0,1,0,1,0,0|2,0,0]=4 5655 B12R1.34 COC(=O)C(=O)N1CCOCC1 11a_100015191051_100000024059 [0,1,0,1,0,0|2,0,0]=4 5656 B12R1.34 COC(=O)C(=O)N1CCOCC1 1626a_100015191051_100000024059 [0,1,0,1,0,0|2,0,0]=4 5657 B12R1.34 COC(=O)C(=O)N1CCOCC1 240690a_100015191051_100000024059 [0,1,0,1,0,0|2,0,0]=4 5658 B12R1.34 COC(=O)C(=O)N1CCOCC1 527a_100015191051_100000024059 [0,1,0,1,0,0|2,0,0]=4 5659 B12R1.34 COC(=O)C(=O)N1CCSCC1 11a_100000737611_100000024059 [0,1,0,1,0,0|2,0,0]=4 5660 B12R1.34 COC(=O)C(=O)N1CCSCC1 240690a_100000737611_100000024059 [0,1,0,1,0,0|2,0,0]=4 5661 B12R1.34 COC(=O)C(=O)N1CCSCC1 527a_100000737611_100000024059 [0,1,0,1,0,0|2,0,0]=4 5662 B12R1.108 CNC(=O)C(=O)CC1CCCC1 1458a_100011218921_100000740388 [0,1,0,1,0,0|1,0,1]=4 5663 B12R1.108 CNC(=O)C(=O)NC1CCCC1 1626a_100000211070_100011218921 [0,1,0,1,0,0|2,0,0]=4 5664 B12R1.108 CNC(=O)C(=O)NC1CCCC1 240690a_100000211070_100011218921 [0,1,0,1,0,0|2,0,0]=4 5665 B12R1.108 CNC(=O)C(=O)NC1CCCC1 527a_100000211070_100011218921 [0,1,0,1,0,0|2,0,0]=4 5666 B12R1.108 COC(=O)C(=O)NC1CCCC1 11a_100000211070_100000024059 [0,1,0,1,0,0|1,0,0]=3 5667 B12R1.108 COC(=O)C(=O)NC1CCCC1 1626a_100000211070_100000024059 [0,1,0,1,0,0|1,0,0]=3 5668 B12R1.108 COC(=O)C(=O)NC1CCCC1 240690a_100000211070_100000024059 [0,1,0,1,0,0|1,0,0]=3 5669 B12R1.108 COC(=O)C(=O)NC1CCCC1 527a_100000211070_100000024059 [0,1,0,1,0,0|1,0,0]=3 5670 B12R1.108 COC(=O)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000024059 [0,1,0,1,0,0|2,0,0]=4 5671 B12R1.108 COC(=O)C(=O)N[C@@H]1CCOC1 527a_200015188469_100000024059 [0,1,0,1,0,0|2,0,0]=4 5672 B12R1.108 COC(=O)C(=O)N[C@H]1CCOC1 11a_100015188467_100000024059 [0,1,0,1,0,0|2,0,0]=4 5673 B12R1.108 COC(=O)C(=O)N[C@H]1CCOC1 1626a_100015188467_100000024059 [0,1,0,1,0,0|2,0,0]=4 5674 B12R1.108 COC(=O)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000024059 [0,1,0,1,0,0|2,0,0]=4 5675 B12R1.108 COC(=O)C(=O)N[C@H]1CCOC1 527a_100015188467_100000024059 [0,1,0,1,0,0|2,0,0]=4 5676 B12R1.108 COC(=O)C(C)NC1CCCC1 2230a_100000211070_100000211248 [0,1,0,1,0,0|1,0,1]=4 5677 B12R1.108 COC(=O)C(C)NC1CCCC1 34a_100000211070_100000211248 [0,1,0,1,0,0|1,0,1]=4 5678 B12R1.108 COC(=O)C(C)OC1CCCC1 34a_100000210269_100000211248 [0,1,0,1,0,0|1,0,1]=4 5679 B12R1.108 COC(=O)C(C)OC1CCCC1 34a_100011215400_100000179811 [0,1,0,1,0,0|1,0,1]=4 5680 B12R1.108 COC(=O)C(C)OC1CCCC1 7a_100000210269_100000211248 [0,1,0,1,0,0|1,0,1]=4 5681 B12R1.108 COC(=O)C(C)SC1CCCC1 62a_100000211248_100000179811 [0,1,0,1,0,0|1,0,1]=4 5682 B12R1.108 COC(=O)C(C)SC1CCCC1 62a_100011217020_100000211248 [0,1,0,1,0,0|1,0,1]=4 5683 B12R1.468 CNC(=O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100011218921 [0,1,0,1,0,0|2,0,0]=4 5684 B12R1.468 CNC(=O)C(=O)N1CCC[C@@H]1C 527a_100020605311_100011218921 [0,1,0,1,0,0|2,0,0]=4 5685 B12R1.468 CNC(=O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100011218921 [0,1,0,1,0,0|2,0,0]=4 5686 B12R1.468 CNC(=O)C(=O)N1CCC[C@H]1C 527a_100015189458_100011218921 [0,1,0,1,0,0|2,0,0]=4 5687 B12R1.468 COC(=O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000024059 [0,1,0,1,0,0|1,0,0]=3 5688 B12R1.468 COC(=O)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000024059 [0,1,0,1,0,0|1,0,0]=3 5689 B12R1.468 COC(=O)C(=O)N1CCC[C@H]1C 11a_100015189458_100000024059 [0,1,0,1,0,0|1,0,0]=3 5690 B12R1.468 COC(=O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000024059 [0,1,0,1,0,0|1,0,0]=3 5691 B12R1.468 COC(=O)C(=O)N1CCC[C@H]1C 527a_100015189458_100000024059 [0,1,0,1,0,0|1,0,0]=3 5692 B12R1.468 COC(=O)C(=O)N1CCSC1C 11a_200011216479_100000024059 [0,1,0,1,0,0|2,0,0]=4 5693 B12R1.468 COC(=O)C(=O)N1CCSC1C 1626a_200011216479_100000024059 [0,1,0,1,0,0|2,0,0]=4 5694 B12R1.468 COC(=O)C(=O)N1CCSC1C 240690a_200011216479_100000024059 [0,1,0,1,0,0|2,0,0]=4 5695 B12R1.468 COC(=O)C(=O)N1CCSC1C 527a_200011216479_100000024059 [0,1,0,1,0,0|2,0,0]=4 5696 B12R1.468 COC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000211248 [0,1,0,1,0,0|1,0,1]=4 5697 B12R1.468 COC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000211248 [0,1,0,1,0,0|1,0,1]=4 5698 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000211248 [0,1,0,1,0,0|1,0,1]=4 5699 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000211248 [0,1,0,1,0,0|1,0,1]=4 5700 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100000211248 [0,1,0,1,0,0|1,0,1]=4 5701 B12R1.470 C=C(CNC1CCC1)C(=O)OC 34a_100000749019_100009813391 [0,1,0,1,0,0|1,0,1]=4 5702 B12R1.470 C=C(COC1CCC1)C(=O)OC 34a_100000748187_100009813391 [0,1,0,1,0,0|1,0,1]=4 5703 B12R1.470 C=C(CSC1CCC1)C(=O)OC 62a_100009813391_100000749161 [0,1,0,1,0,0|1,0,1]=4 5704 B12R1.470 CNC(=O)C(=O)NCC1CCC1 1626a_100000738700_100011218921 [0,1,0,1,0,0|2,0,0]=4 5705 B12R1.470 CNC(=O)C(=O)NCC1CCC1 240690a_100000738700_100011218921 [0,1,0,1,0,0|2,0,0]=4 5706 B12R1.470 CNC(=O)C(=O)NCC1CCC1 527a_100000738700_100011218921 [0,1,0,1,0,0|2,0,0]=4 5707 B12R1.470 COC(=O)C(=NNC1CCC1)C 4a_100000736358_100000211753 [0,1,0,1,0,0|2,0,0]=4 5708 B12R1.470 COC(=O)C(=O)CNC1CCC1 34a_100000749019_100011610305 [0,1,0,1,0,0|1,0,1]=4 5709 B12R1.470 COC(=O)C(=O)COC1CCC1 34a_100000748187_100011610305 [0,1,0,1,0,0|1,0,1]=4 5710 B12R1.470 COC(=O)C(=O)CSC1CCC1 62a_100011610305_100000749161 [0,1,0,1,0,0|1,0,1]=4 5711 B12R1.470 COC(=O)C(=O)NCC1CCC1 11a_100000738700_100000024059 [0,1,0,1,0,0|1,0,0]=3 5712 B12R1.470 COC(=O)C(=O)NCC1CCC1 1626a_100000738700_100000024059 [0,1,0,1,0,0|1,0,0]=3 5713 B12R1.470 COC(=O)C(=O)NCC1CCC1 240690a_100000738700_100000024059 [0,1,0,1,0,0|1,0,0]=3 5714 B12R1.470 COC(=O)C(=O)NCC1CCC1 527a_100000738700_100000024059 [0,1,0,1,0,0|1,0,0]=3 5715 B12R1.470 COC(=O)C(=O)NCC1COC1 11a_100015281925_100000024059 [0,1,0,1,0,0|2,0,0]=4 5716 B12R1.470 COC(=O)C(=O)NCC1COC1 1626a_100015281925_100000024059 [0,1,0,1,0,0|2,0,0]=4 5717 B12R1.470 COC(=O)C(=O)NCC1COC1 240690a_100015281925_100000024059 [0,1,0,1,0,0|2,0,0]=4 5718 B12R1.470 COC(=O)C(=O)NCC1COC1 527a_100015281925_100000024059 [0,1,0,1,0,0|2,0,0]=4 5719 B12R1.470 COC(=O)C(=O)NC[C@@H]1CCO1 11a_100020831831_100000024059 [0,1,0,1,0,0|2,0,0]=4 5720 B12R1.470 COC(=O)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100000024059 [0,1,0,1,0,0|2,0,0]=4 5721 B12R1.470 COC(=O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000024059 [0,1,0,1,0,0|2,0,0]=4 5722 B12R1.470 COC(=O)C(=O)NC[C@@H]1CCO1 527a_100020831831_100000024059 [0,1,0,1,0,0|2,0,0]=4 5723 B12R1.470 COC(=O)C(C)NCC1CCC1 2230a_100000738700_100000211248 [0,1,0,1,0,0|1,0,1]=4 5724 B12R1.470 COC(=O)C(C)NCC1CCC1 34a_100000738700_100000211248 [0,1,0,1,0,0|1,0,1]=4 5725 B12R1.470 COC(=O)C(C)OCC1CCC1 34a_100000760304_100000211248 [0,1,0,1,0,0|1,0,1]=4 5726 B12R1.470 COC(=O)C(C)OCC1CCC1 34a_100011215400_100000763275 [0,1,0,1,0,0|1,0,1]=4 5727 B12R1.470 COC(=O)C(C)SCC1CCC1 62a_100000211248_100000763275 [0,1,0,1,0,0|1,0,1]=4 5728 B12R1.470 COC(=O)C(C)SCC1CCC1 62a_100000763275_100000211248 [0,1,0,1,0,0|1,0,1]=4 5729 B12R1.471 C=C(CNCC1CC1)C(=O)OC 34a_100000735609_100009813391 [0,1,0,1,0,0|1,0,1]=4 5730 B12R1.471 C=C(COCC1CC1)C(=O)OC 34a_100000211283_100009813391 [0,1,0,1,0,0|1,0,1]=4 5731 B12R1.471 C=C(CSCC1CC1)C(=O)OC 62a_100000756562_100009813391 [0,1,0,1,0,0|1,0,1]=4 5732 B12R1.471 C=C(CSCC1CC1)C(=O)OC 62a_100009813391_100000742324 [0,1,0,1,0,0|1,0,1]=4 5733 B12R1.471 CNC(=O)C(=O)NCCC1CC1 1626a_100000764129_100011218921 [0,1,0,1,0,0|2,0,0]=4 5734 B12R1.471 CNC(=O)C(=O)NCCC1CC1 240690a_100000764129_100011218921 [0,1,0,1,0,0|2,0,0]=4 5735 B12R1.471 CNC(=O)C(=O)NCCC1CC1 527a_100000764129_100011218921 [0,1,0,1,0,0|2,0,0]=4 5736 B12R1.471 COC(=O)C(=NNCC1CC1)C 4a_100000736359_100000211753 [0,1,0,1,0,0|2,0,0]=4 5737 B12R1.471 COC(=O)C(=O)CNCC1CC1 34a_100000735609_100011610305 [0,1,0,1,0,0|1,0,1]=4 5738 B12R1.471 COC(=O)C(=O)COCC1CC1 34a_100000211283_100011610305 [0,1,0,1,0,0|1,0,1]=4 5739 B12R1.471 COC(=O)C(=O)CSCC1CC1 62a_100000756562_100011610305 [0,1,0,1,0,0|1,0,1]=4 5740 B12R1.471 COC(=O)C(=O)CSCC1CC1 62a_100011610305_100000742324 [0,1,0,1,0,0|1,0,1]=4 5741 B12R1.471 COC(=O)C(=O)NCCC1CC1 1626a_100000764129_100000024059 [0,1,0,1,0,0|1,0,0]=3 5742 B12R1.471 COC(=O)C(=O)NCCC1CC1 240690a_100000764129_100000024059 [0,1,0,1,0,0|1,0,0]=3 5743 B12R1.471 COC(=O)C(=O)NCCC1CC1 527a_100000764129_100000024059 [0,1,0,1,0,0|1,0,0]=3 5744 B12R1.471 COC(=O)C(C)NCCC1CC1 34a_100000764129_100000211248 [0,1,0,1,0,0|1,0,1]=4 5745 B12R1.471 COC(=O)C(C)OCCC1CC1 34a_100000754188_100000211248 [0,1,0,1,0,0|1,0,1]=4 5746 B12R1.471 COC(=O)C(C)OCCC1CC1 34a_100011215400_100000694398 [0,1,0,1,0,0|1,0,1]=4 5747 B12R1.471 COC(=O)C(C)OCCC1CC1 7a_100000754188_100000211248 [0,1,0,1,0,0|1,0,1]=4 5748 B12R1.471 COC(=O)C(C)SCCC1CC1 62a_100000211248_100000764125 [0,1,0,1,0,0|1,0,1]=4 5749 B12R1.471 COC(=O)C(C)SCCC1CC1 62a_100000764125_100000211248 [0,1,0,1,0,0|1,0,1]=4 5750 B12R1.839 COC(=O)C(C)OCC1CC1C 34a_100000744939_100000211248 [0,1,0,1,0,0|1,0,1]=4 5751 B12R1.839 COC(=O)C(C)OCC1CC1C 7a_100000744939_100000211248 [0,1,0,1,0,0|1,0,1]=4 5752 B12R1.840 C=C(CN1CCC1C)C(=O)OC 34a_100000755817_100009813391 [0,1,0,1,0,0|1,0,1]=4 5753 B12R1.840 COC(=O)C(=O)CN1CCC1C 34a_100000755817_100011610305 [0,1,0,1,0,0|1,0,1]=4 5754 B12R1.15 CCC(=CC(=O)C1CCCC1)C 1458a_100020758463_100000179811 [0,1,0,1,0,0|2,0,0]=4 5755 B12R1.15 CCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747405 [0,1,0,1,0,0|1,0,1]=4 5756 B12R1.15 CNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183359 [0,1,0,1,0,0|1,0,1]=4 5757 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747449 [0,1,0,1,0,0|0,0,1]=3 5758 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000211351_100000179811 [0,1,0,1,0,0|0,0,1]=3 5759 B12R1.15 COC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000747449 [0,1,0,1,0,0|1,0,1]=4 5760 B12R1.15 COC(=O)CC(=O)C1CCOC1 1458a_100000211351_100000690089 [0,1,0,1,0,0|1,0,1]=4 5761 B12R1.15 COC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000747449 [0,1,0,1,0,0|1,0,1]=4 5762 B12R1.15 COC(=O)CC(=O)N1CCCC1 240690a_100000188435_100000211351 [0,1,0,1,0,0|1,0,1]=4 5763 B12R1.15 COC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747449 [0,1,0,1,0,0|1,0,1]=4 5764 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000198492_100000179811 [0,1,0,1,0,0|1,0,1]=4 5765 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000207505_100000747449 [0,1,0,1,0,0|1,0,1]=4 5766 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000220824_200000210301 [0,1,0,1,0,0|1,0,1]=4 5767 B12R1.15 COC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747449 [0,1,0,1,0,0|1,0,1]=4 5768 B12R1.15 COC(=O)CN(C)C1CCCC1 270004a_100000198492_100000210133 [0,1,0,1,0,0|1,0,1]=4 5769 B12R1.15 COC(=O)CN(C)C1CCCC1 34a_100000207505_100000747449 [0,1,0,1,0,0|1,0,1]=4 5770 B12R1.15 COC(=O)CN(C)C1CCCC1 34a_100000220824_200000210301 [0,1,0,1,0,0|1,0,1]=4 5771 B12R1.15 COC(=O)CN([13CH3])C1CCCC1 2230a_100000220824_200025704644 [0,1,0,1,0,0|1,0,1]=4 5772 B12R1.15 COC(=O)CN([13CH3])C1CCCC1 34a_100000220824_200025704644 [0,1,0,1,0,0|1,0,1]=4 5773 B12R1.304 CCC(=CC(=O)CC1CCC1)C 1458a_100020758463_100000763275 [0,1,0,1,0,0|2,0,0]=4 5774 B12R1.304 CCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747405 [0,1,0,1,0,0|1,0,1]=4 5775 B12R1.304 CNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183359 [0,1,0,1,0,0|1,0,1]=4 5776 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000211351_100000763275 [0,1,0,1,0,0|0,0,1]=3 5777 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747449 [0,1,0,1,0,0|0,0,1]=3 5778 B12R1.304 COC(=O)CC(=O)CC1CCO1 1458a_100000211351_100000103362 [0,1,0,1,0,0|1,0,1]=4 5779 B12R1.304 COC(=O)CC(=O)CC1COC1 1458a_100000211351_100010264016 [0,1,0,1,0,0|1,0,1]=4 5780 B12R1.304 COC(=O)CC(=O)CC1COC1 1458a_100000687760_100000747449 [0,1,0,1,0,0|1,0,1]=4 5781 B12R1.304 COC(=O)CC(=O)NC1CCC1 240690a_100000749019_100000211351 [0,1,0,1,0,0|1,0,1]=4 5782 B12R1.304 COC(=O)CN(C)CC1CCC1 2230a_100000198492_100000763275 [0,1,0,1,0,0|1,0,1]=4 5783 B12R1.304 COC(=O)CN(C)CC1CCC1 2230a_200000750244_100000747449 [0,1,0,1,0,0|1,0,1]=4 5784 B12R1.304 COC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747449 [0,1,0,1,0,0|1,0,1]=4 5785 B12R1.304 COC(=O)CN(C)CC1CCC1 34a_200000750244_100000747449 [0,1,0,1,0,0|1,0,1]=4 5786 B12R1.304 COC(=O)NC(=O)CN1CCC1 269982a_100000754969_100000010850 [0,1,0,1,0,0|2,0,0]=4 5787 B12R1.305 CCC(=CC(=O)CCC1CC1)C 1458a_100020758463_100000694398 [0,1,0,1,0,0|2,0,0]=4 5788 B12R1.305 CCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747405 [0,1,0,1,0,0|1,0,1]=4 5789 B12R1.305 CNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183359 [0,1,0,1,0,0|1,0,1]=4 5790 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000211351_100000694398 [0,1,0,1,0,0|0,0,1]=3 5791 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747449 [0,1,0,1,0,0|0,0,1]=3 5792 B12R1.305 COC(=O)CC(=O)CCC1CO1 1458a_100000211351_100000732470 [0,1,0,1,0,0|1,0,1]=4 5793 B12R1.305 COC(=O)CC(=O)CSC1CC1 62a_100000210525_100000211595 [0,1,0,1,0,0|1,0,1]=4 5794 B12R1.305 COC(=O)CC(=O)NCC1CC1 240690a_100000735609_100000211351 [0,1,0,1,0,0|1,0,1]=4 5795 B12R1.305 COC(=O)CN(C)CCC1CC1 2230a_100000198492_100000694398 [0,1,0,1,0,0|1,0,1]=4 5796 B12R1.306 COC(=O)CC(=O)N1CCC1C 240690a_100000755817_100000211351 [0,1,0,1,0,0|1,0,1]=4 5797 B12R1.483 CCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210326 [0,1,0,1,0,0|2,0,0]=4 5798 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [0,1,0,1,0,0|1,0,1]=4 5799 B12R1.1940 CCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747405 [0,1,0,1,0,0|1,0,1]=4 5800 B12R1.1940 CCC1CC1C(=O)CC(=O)NC 1458a_200011661523_100000183359 [0,1,0,1,0,0|1,0,1]=4 5801 B12R1.1940 CCC1CC1C(=O)CC(=O)OC 1458a_200011661523_100000747449 [0,1,0,1,0,0|0,0,1]=3 5802 B12R1.1689 COC(=O)/C=C/CN(C)C1CC1 2230a_100000226674_100000742655 [0,1,0,1,0,0|1,0,0]=3 5803 B12R1.1689 COC(=O)/C=C/CN(C)C1CC1 269982a_100000226674_100000742655 [0,1,0,1,0,0|1,0,0]=3 5804 B12R1.1689 COC(=O)CNCC(O)C1CC1 2230a_100000751198_100000747449 [0,1,0,1,0,0|1,0,1]=4 5805 B12R1.1689 COC(=O)CNCC(O)C1CC1 34a_100000751198_100000747449 [0,1,0,1,0,0|1,0,1]=4 5806 B12R1.1689 COC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000747449 [0,1,0,1,0,0|1,0,1]=4 5807 B12R1.1849 COC(=O)CNCC1(CCC1)C 2230a_100000706607_100000747449 [0,1,0,1,0,0|1,0,1]=4 5808 B12R1.1849 COC(=O)CNCC1(CCC1)O 2230a_100000752638_100000747449 [0,1,0,1,0,0|1,0,1]=4 5809 B12R1.1849 COC(=O)CSCC1(CCC1)C 62a_100000726658_100000747449 [0,1,0,1,0,0|1,0,1]=4 5810 B12R1.1849 COC(=O)CSCC1(CCC1)C 62a_100000747449_100000726658 [0,1,0,1,0,0|1,0,1]=4 5811 B12R2.2298 O=C1C=C(CO1)CNC2CC2 34a_100000212008_100000716558 [0,0,0,2,0,0|1,0,0]=3 5812 B12R2.2298 O=C1C=C(CO1)CSC2CC2 62a_100000716558_100000211595 [0,0,0,2,0,0|1,0,0]=3 5813 B12R2.1619 COC(=O)CN1CC2CC2C1 2230a_100000741873_100000747449 [0,0,0,2,0,0|1,0,1]=4 5814 B12R2.1619 COC(=O)CN1CC2CC2C1 269982a_100000741873_100000747449 [0,0,0,2,0,0|1,0,1]=4 5815 B12R2.1619 COC(=O)CN1CC2CC2C1 34a_100000741873_100000747449 [0,0,0,2,0,0|1,0,1]=4