0 B10R1.17 CCOCc1ccccc1 M28093 [1,0,0,0,0,0|2,0,0]=3 1 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.17 CNCCc1ccccn1 M18815 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 NNCCc1ccccc1 M22671 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.17 NNCCc1ccccc1 M28381 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M15335 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M24587 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.226 O=C(O)CCc1cccc(O)c1 M20847 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.24 Brc1ccc2c(c1)NCCC2 M27587 [0,0,0,1,0,0|2,1,0]=4 14 B12R2.612 OB1OCc2cc(Cl)ccc21 M17372 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.2 CNC1=CC=CC(C)=C1 M15666 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.2 NCc1ccnc(Cl)c1 M20701 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.2 OCc1cccc(O)c1 M19645 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.8 CCOC1=CC=CC=C1 M23245 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.8 CNCc1ccccc1 M21326 [2,0,0,0,0,0|0,0,0]=2 20 B9R1.8 NCCc1ccccc1 M18943 [2,0,0,0,0,0|0,0,0]=2 21 B9R1.8 NCCc1ccccc1 M20880 [2,0,0,0,0,0|0,0,0]=2 22 B9R1.8 NCCc1ccccn1 M24275 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.8 O=CCC1=CC=CC=C1 M17893 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.8 OCCC1=CC=CC=C1 M15237 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 OCCC1=CC=CC=N1 M10186 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.157 CC(N)Cc1cccc(O)c1 M28405 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.189 COc1cccc(CCN)c1 M21105 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M15360 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M24487 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.192 OCCc1ccc(O)c(O)c1 M17790 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.1 COCCC1=CC=C(O)C=C1 M15064 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.1 OCCCc1ccc(O)cc1 M17756 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.28 S=C=NCCC1=CC=CC=C1 M22864 [1,1,0,0,0,0|0,0,2]=4 35 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.91 CC(=O)COc1ccccc1 M27826 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.91 CC(=O)NCc1ccccc1 M22662 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.91 CC(=O)OCc1ccccc1 M20248 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.91 O=C(O)CCc1ccccc1 M18665 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.18 CCNCC(O)C1=CC=CC(O)=C1 M16754 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 M15351 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 M14086 [0,2,0,0,0,0|1,0,0]=3 43 B13R1.466 CNCC(O)C1=CC=C(O)C(O)=C1 M14087 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 M19517 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 M14780 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 M18798 [0,2,0,0,0,0|1,0,0]=3 47 B13R1.55 CCCCCc1cc(O)cc(O)c1 M18664 [0,2,0,0,0,0|2,0,0]=4 48 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [1,0,0,1,0,0|2,0,0]=4 49 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.5179 O=C1CCCc2cc(Cl)ccc21 M27393 [0,1,0,1,0,0|1,0,1]=4