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[0,1,0,0,0,0|3,0,0]=4 16 B9R0.18 CCNC[C@H](C)CCCO AIFCHEM-94537418110 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.45 CCCCCNCCCC AIFCHEM-94522650615 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.45 CCNCCCOCCO AIFCHEM-94537427775 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.45 CCNCCOCCOC AIFCHEM-94537420107 [0,1,0,0,0,0|1,1,0]=3 20 B9R0.45 CSCCCNCCCO AIFCHEM-94546176663 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.45 CSCCCNCCSC AIFCHEM-94546185745 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.46 CCC(C)CNCCCO AIFCHEM-6421321424 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.46 CCC(C)CNCCSC AIFCHEM-94598925025 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.46 CCCCNCC(C)OC AIFCHEM-94523040962 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.46 CCCCNC[C@@H](C)OC AIFCHEM-94608836381 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.46 CCCCNC[C@H](C)OC AIFCHEM-94523043222 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.46 CCCNCCC(C)CO AIFCHEM-94569018822 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.46 CSCCNCC(O)CO AIFCHEM-5882350300 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.46 CSCCNC[C@H](O)CO AIFCHEM-94590560241 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 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AIFCHEM-94544710523 [0,2,0,0,0,0|1,0,0]=3 61 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,2,0,0,0,0|1,0,1]=4 63 B10R0.4 CCOCCCNCC(C)C AIFCHEM-94572983103 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.4 CSCCCNCCC(C)O AIFCHEM-94546182420 [0,2,0,0,0,0|1,0,0]=3 65 B10R0.4 CSCCCNCCC(F)F AIFCHEM-94546172557 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.4 CSCCCNCC[C@H](C)O AIFCHEM-94546175128 [0,2,0,0,0,0|1,0,0]=3 67 B10R0.6 CCCCCN(C)CC(C)C AIFCHEM-94551435218 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.22 CCCCCNCC(C)(C)C AIFCHEM-94551434681 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.55 CCC(C)CNCCC(C)C AIFCHEM-6121185674 [0,2,0,0,0,0|1,0,0]=3 70 B10R0.74 CCC(C)CNCCCCO AIFCHEM-6503161781 [0,2,0,0,0,0|1,0,0]=3 71 B10R0.74 CCCCCNCC(C)CC AIFCHEM-94522656373 [0,2,0,0,0,0|1,0,0]=3 72 B10R0.74 CCCCCNCC(F)CC AIFCHEM-94551426530 [0,2,0,0,0,0|1,0,0]=3 73 B10R0.74 CCCCCNC[C@@H](F)CO AIFCHEM-94551432028 [0,2,0,0,0,0|2,0,0]=4 74 B10R0.74 CCCCCNC[C@H](F)CO AIFCHEM-94551432029 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.74 CCCCNCCC(C)CO AIFCHEM-94523038052 [0,2,0,0,0,0|1,0,0]=3 76 B10R0.74 CSCCCNCC(O)CO AIFCHEM-94546184798 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.74 CSCCCNC[C@@H](O)CO AIFCHEM-94546185392 [0,2,0,0,0,0|2,0,0]=4 78 B10R0.74 CSCCCNC[C@H](O)CO AIFCHEM-94590564333 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.75 CCCCNCC(O)C(C)C AIFCHEM-94523035587 [0,2,0,0,0,0|1,0,0]=3 80 B10R0.78 CCCCC(C)NCC(C)O AIFCHEM-94541404351 [0,2,0,0,0,0|2,0,0]=4 81 B10R0.78 CCCCC(C)NC[C@@H](C)O AIFCHEM-94541398614 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.78 CCCCC(C)NC[C@H](C)O AIFCHEM-94541398615 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.97 CC(C)CCCNCC(C)C AIFCHEM-94572971938 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.1 CC(CCO)NCCCCO AIFCHEM-6488390426 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.1 CCCC(C)NCCCSC AIFCHEM-94529050641 [0,2,0,0,0,0|1,0,0]=3 86 B10R0.1 CCCCNCC(=O)NCC AIFCHEM-94523039937 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.1 CCC[C@@H](C)NCCCSC AIFCHEM-94546172614 [0,2,0,0,0,0|1,0,0]=3 88 B10R0.1 CCC[C@H](C)NCCCSC AIFCHEM-94546179649 [0,2,0,0,0,0|1,0,0]=3 89 B10R0.1 CCOCCNC(C)COC AIFCHEM-94548607155 [0,2,0,0,0,0|2,0,0]=4 90 B10R0.19 CCCCN(C)C(C)COC AIFCHEM-94523029115 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.24 CCCCNC(CO)COC AIFCHEM-94523036665 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.91 CCCCC(=O)NCCOC AIFCHEM-94534100236 [0,2,0,0,0,0|2,0,0]=4 93 B10R0.91 CCCCC(=O)NCCSC AIFCHEM-94534104594 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.91 CCCCC(C)NCCSC AIFCHEM-94541396278 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.91 CCCCNC(=O)CCSC AIFCHEM-5695482106 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.91 CSCCNC(C)CCSC AIFCHEM-5874624823 [0,2,0,0,0,0|2,0,0]=4 97 B10R0.108 CCC(F)CNC(C)COC AIFCHEM-5859310042 [0,2,0,0,0,0|2,0,0]=4 98 B10R0.108 CCC(O)CNC(C)CCO AIFCHEM-6479322484 [0,2,0,0,0,0|2,0,0]=4 99 B10R0.108 CCCC(C)NCC(F)CC AIFCHEM-94606111738 [0,2,0,0,0,0|1,0,0]=3 100 B10R0.108 CC[C@@H](O)CNC(C)CCO AIFCHEM-6417001113 [0,2,0,0,0,0|2,0,0]=4 101 B10R0.156 CCCCNC(C)(C)COC AIFCHEM-94586734870 [0,2,0,0,0,0|2,0,0]=4 102 B10R0.156 CCCCNC(C)(C)CSC AIFCHEM-94523037106 [0,2,0,0,0,0|2,0,0]=4 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AIFCHEM-6457096569 [0,2,0,0,0,0|1,0,0]=3 118 B10R0.59 CCC(C)CNC[C@@H](F)CO AIFCHEM-6466258239 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.59 CCC(C)CNC[C@H](F)CO AIFCHEM-94577442319 [0,2,0,0,0,0|2,0,0]=4 120 B10R0.59 CCC(C)CNC[C@H](O)CC AIFCHEM-6462673825 [0,2,0,0,0,0|1,0,0]=3 121 B10R0.59 CCC(F)CNCC(O)CO AIFCHEM-5800969439 [0,2,0,0,0,0|2,0,0]=4 122 B10R0.59 CCC(F)CNC[C@H](O)CO AIFCHEM-94590557938 [0,2,0,0,0,0|2,0,0]=4 123 B8R1.8 CCNC1CCOC1 AIFCHEM-94537426578 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.8 CCN[C@@H]1CCOC1 AIFCHEM-94537412237 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.8 CCN[C@H]1CCOC1 AIFCHEM-94585471465 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [1,0,0,1,0,0|1,0,0]=3 127 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [1,0,0,1,0,0|1,0,0]=3 128 B8R1.12 CCN1CC[C@@H]1CO AIFCHEM-94554359495 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.12 CCN1CC[C@H]1CO AIFCHEM-94537411744 [1,0,0,1,0,0|2,0,0]=4 130 B10R1.10 CCCN1CCCC(C1)F AIFCHEM-94569022032 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.10 CCCN1CCCC(C1)O AIFCHEM-94569021033 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.10 CCCN1CCC[C@H](C1)O AIFCHEM-94531241660 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.10 CCNC1CCCC(C1)C AIFCHEM-94537424394 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.24 CCCNC[C@H]1C[C@H](C1)O AIFCHEM-94569012239 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.56 CCCCNC[C@@H]1C[C@H]1C AIFCHEM-94523033944 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.66 CC(C)CNC1CCCC1 AIFCHEM-94541531128 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.73 CC(C)CNC[C@@H]1C[C@H]1C AIFCHEM-94572976968 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.126 FC(F)CCNCC1CC1 AIFCHEM-6212277398 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.127 CC(C)CCNC1CCC1 AIFCHEM-94576054914 [0,1,0,1,0,0|1,0,0]=3 140 B10R1.127 FC(F)CCNC1CCC1 AIFCHEM-94576043589 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.133 CCCN1CCCC1(C)C AIFCHEM-94522224602 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.177 CSCCCNCC1CC1 AIFCHEM-94529051916 [0,1,0,1,0,0|1,0,0]=3 143 B10R1.21 CCCNCC1CCOC1 AIFCHEM-94521371393 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.21 CCCNC[C@@H]1CCOC1 AIFCHEM-94569012262 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.21 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