0 B10R1.4 C=CCc1ccccc1O M27275 [1,0,0,0,0,0|1,0,2]=4 1 B10R1.17 CCOCc1ccccc1 M28093 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 CNCCc1ccccn1 M18815 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.17 NNCCc1ccccc1 M22671 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 NNCCc1ccccc1 M28381 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.69 CCCCc1ccc(O)cc1O M20556 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.125 CC(C)COc1ccccc1N M29512 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.125 O=C(O)CCc1ccccc1O M19688 [0,1,0,0,0,0|3,0,0]=4 14 B10R0.71 CCCCC\C=C\C=C\C=O M28723 [0,0,1,0,0,0|2,0,1]=4 15 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.8 CCOC1=CC=CC=C1 M23245 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.8 CNCc1ccccc1 M21326 [2,0,0,0,0,0|0,0,0]=2 19 B9R1.8 NCCc1ccccc1 M18943 [2,0,0,0,0,0|0,0,0]=2 20 B9R1.8 NCCc1ccccc1 M20880 [2,0,0,0,0,0|0,0,0]=2 21 B9R1.8 NCCc1ccccn1 M24275 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 O=CCC1=CC=CC=C1 M17893 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.8 OCCC1=CC=CC=C1 M15237 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.8 OCCC1=CC=CC=N1 M10186 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.15 COC1=CC=CC=C1O M16473 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 NCc1ccccc1O M28366 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.15 OCc1ccccc1O M16468 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.1 COCCC1=CC=C(O)C=C1 M15064 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.1 OCCCc1ccc(O)cc1 M17756 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.28 S=C=NCCC1=CC=CC=C1 M22864 [1,1,0,0,0,0|0,0,2]=4 33 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.91 CC(=O)COc1ccccc1 M27826 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.91 CC(=O)NCc1ccccc1 M22662 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.91 CC(=O)OCc1ccccc1 M20248 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.91 O=C(O)CCc1ccccc1 M18665 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.369 CCCCCc1ccc(C)cc1O M17931 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.91 CNC(C)Cc1ccccc1OC M19816 [0,2,0,0,0,0|1,0,0]=3 40 B13R1.275 CC[N+](C)(C)CC1=CC=CC=C1Br M20751 [0,2,0,0,0,0|2,0,0]=4 41 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [1,0,0,1,0,0|2,0,0]=4 42 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [1,0,0,1,0,0|2,0,0]=4 43 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [1,0,0,1,0,0|2,0,0]=4