0 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 C[C@@H](N=C=S)c1ccccc1 M27150 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.15 CNC(=O)c1ccccc1 M26316 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.15 CNC(=O)c1cccnc1 M20018 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.15 NCC(O)c1ccccc1 M19713 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CCOCc1ccccc1 M28093 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 CNCCc1ccccn1 M18815 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 NNCCc1ccccc1 M22671 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.17 NNCCc1ccccc1 M28381 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 M16729 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.16 CNCC(O)c1ccc(O)cc1 M18871 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M15335 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M24587 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.30 CCCCC(O)C1=CC=CC=C1 M15139 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.107 CC(CC(=O)O)c1ccccc1 M27054 [0,1,0,0,0,0|2,0,0]=3 27 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 M27210 [0,0,0,1,0,0|2,0,0]=3 28 B12R1.32 C#CCN(C)CC1=CC=CC=C1 M13976 [0,0,0,0,0,1|2,0,1]=4 29 B12R1.32 C#CCN(C)CC1=CC=CC=C1 M15018 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.6 CC(=O)c1ccccc1 M20888 [2,0,0,0,0,0|1,0,1]=4 31 B9R1.6 C[C@H](O)c1ccccc1 M19564 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.6 N=C(N)c1ccccc1 M21570 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [2,0,0,0,0,0|1,0,1]=4 34 B9R1.8 CCOC1=CC=CC=C1 M23245 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 CNCc1ccccc1 M21326 [2,0,0,0,0,0|0,0,0]=2 36 B9R1.8 NCCc1ccccc1 M18943 [2,0,0,0,0,0|0,0,0]=2 37 B9R1.8 NCCc1ccccc1 M20880 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.8 NCCc1ccccn1 M24275 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 O=CCC1=CC=CC=C1 M17893 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.8 OCCC1=CC=CC=C1 M15237 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.8 OCCC1=CC=CC=N1 M10186 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.1 COCCC1=CC=C(O)C=C1 M15064 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.1 OCCCc1ccc(O)cc1 M17756 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.28 S=C=NCCC1=CC=CC=C1 M22864 [1,1,0,0,0,0|0,0,2]=4 48 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.91 CC(=O)COc1ccccc1 M27826 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.91 CC(=O)NCc1ccccc1 M22662 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.91 CC(=O)OCc1ccccc1 M20248 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.91 O=C(O)CCc1ccccc1 M18665 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 M10316 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.713 [C@H](CN)(CC(=O)O)c1ccccc1 M22204 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 M15351 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 M14086 [0,2,0,0,0,0|1,0,0]=3 57 B13R1.466 CNCC(O)C1=CC=C(O)C(O)=C1 M14087 [0,2,0,0,0,0|1,0,0]=3 58 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 M19517 [0,2,0,0,0,0|1,0,0]=3 59 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 M14780 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 M18798 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.18 CCNCC(O)C1=CC=CC(O)=C1 M16754 [0,2,0,0,0,0|1,0,0]=3 62 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [1,0,0,1,0,0|1,0,1]=4 63 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [1,0,0,1,0,0|0,0,0]=2 64 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [1,0,0,1,0,0|0,0,0]=2 65 B13R2.3 c1ccc(N2CCNCC2)nc1 M19905 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.3 c1cncc(C2CCCCN2)c1 M20531 [0,1,0,1,0,0|2,0,0]=4