0 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.3 CCNCC(O)CO AIFCHEM-94537423573 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CCNC[C@@H](O)CO AIFCHEM-94537424167 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 CCNC[C@H](O)CO AIFCHEM-94537423528 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.34 CCCN(C)CC(O)CC AIFCHEM-94569018598 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.46 CCCCNCC(C)OC AIFCHEM-94523040962 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.46 CCCCNC[C@@H](C)OC AIFCHEM-94608836381 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.46 CCCCNC[C@H](C)OC AIFCHEM-94523043222 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.46 CCCNCCC(C)CO AIFCHEM-94569018822 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.46 CSCCNCC(O)CO AIFCHEM-5882350300 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.46 CSCCNC[C@H](O)CO AIFCHEM-94590560241 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.47 CCCCN[C@@H](C)C(=O)O AIFCHEM-94523039192 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.47 CCCCN[C@H](C)C(=O)O AIFCHEM-94523036726 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.50 CCCCNC(CC)CO AIFCHEM-5695192759 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.50 CCCCN[C@@H](CC)CO AIFCHEM-94523039529 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.50 CCCCN[C@H](CC)CO AIFCHEM-94523039530 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.1 CCN1CCC(CC1)O AIFCHEM-94537422607 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.7 CCNC1CCC(C1)O AIFCHEM-94537412824 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O AIFCHEM-94537413980 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.7 CCN[C@@H]1CC[C@H](C1)O AIFCHEM-94571556877 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.7 CCN[C@H]1CC[C@@H](C1)O AIFCHEM-94537415911 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.7 CCN[C@H]1CC[C@H](C1)O AIFCHEM-94537414200 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [0,0,0,1,0,0|1,0,2]=4 26 B6R0.6 CCCNCCO AIFCHEM-94577775848 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.6 CCNCCCO AIFCHEM-94537415438 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.21 CCCNCC(C)(C)O AIFCHEM-94569016821 [1,1,0,0,0,0|1,0,1]=4 30 B10R0.59 CCC(C)CNCC(O)CC AIFCHEM-6457096569 [0,2,0,0,0,0|0,0,2]=4 31 B10R0.59 CCC(C)CNC[C@H](O)CC AIFCHEM-6462673825 [0,2,0,0,0,0|0,0,2]=4 32 B10R0.59 CCC(F)CNCC(O)CO AIFCHEM-5800969439 [0,2,0,0,0,0|1,0,1]=4 33 B10R0.59 CCC(F)CNC[C@H](O)CO AIFCHEM-94590557938 [0,2,0,0,0,0|1,0,1]=4 34 B10R0.41 CCCCCNC(CC)CO AIFCHEM-94552821569 [0,2,0,0,0,0|0,0,2]=4 35 B10R0.41 CCCCCN[C@@H](CC)CO AIFCHEM-94551434740 [0,2,0,0,0,0|0,0,2]=4 36 B10R0.41 CCCCCN[C@H](CC)CO AIFCHEM-94551434741 [0,2,0,0,0,0|0,0,2]=4 37 B10R0.74 CSCCCNCC(O)CO AIFCHEM-94546184798 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.74 CSCCCNC[C@@H](O)CO AIFCHEM-94546185392 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.74 CSCCCNC[C@H](O)CO AIFCHEM-94590564333 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.75 CCCCCN[C@@H](C)C(=O)N AIFCHEM-94530163499 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.75 CCCCCN[C@H](C)C(=O)N AIFCHEM-94551436255 [0,2,0,0,0,0|2,0,0]=4 42 B10R0.75 CCCCNCC(O)C(C)C AIFCHEM-94523035587 [0,2,0,0,0,0|0,0,2]=4 43 B10R1.21 CCCCNc1ccon1 AIFCHEM-94523033139 [0,1,0,1,0,0|1,0,1]=4 44 B10R1.21 CCCCNc1ncco1 AIFCHEM-94523038147 [0,1,0,1,0,0|1,0,1]=4 45 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [0,1,0,1,0,0|1,0,1]=4 46 B10R1.21 CCCNCc1cnco1 AIFCHEM-94521366295 [0,1,0,1,0,0|1,0,1]=4 47 B10R1.151 CCC(O)CNC1CCC1 AIFCHEM-94576047024 [0,1,0,1,0,0|0,0,2]=4 48 B10R1.151 CC[C@@H](O)CNC1CCC1 AIFCHEM-94576047022 [0,1,0,1,0,0|0,0,2]=4 49 B10R1.1 CCCN1CCC(CC1)O AIFCHEM-94546652685 [0,1,0,1,0,0|0,0,2]=4 50 B10R1.57 CCCCNCC1CCO1 AIFCHEM-94567674297 [0,1,0,1,0,0|0,0,2]=4 51 B10R1.57 CCCCNC[C@@H]1CCO1 AIFCHEM-94523034466 [0,1,0,1,0,0|0,0,2]=4 52 B10R1.57 CCCCNC[C@H]1CCO1 AIFCHEM-94523034462 [0,1,0,1,0,0|0,0,2]=4