0 B12R1.32 CCOC(=O)Cc1ccccc1 M27076 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 M23773 [0,1,0,0,0,0|0,0,0]=1 3 B13R1.47 CCOC(=O)C(=O)c1ccccc1 M27256 [0,1,0,0,0,0|0,0,1]=2 4 B13R1.47 CCOC(=O)C(O)c1ccccc1 M27247 [0,1,0,0,0,0|0,0,0]=1 5 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 M15232 [0,0,0,1,0,0|2,0,0]=3 6 B13R2.64 c1ccc(CC2=NCCN2)cc1 M27407 [0,0,0,1,0,0|2,0,0]=3 7 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [0,0,0,0,1,0|1,0,0]=2 8 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [0,0,0,0,1,0|2,0,0]=3 9 B11R1.16 O=C(NCO)c1cccnc1 M21146 [0,0,0,0,1,0|3,0,0]=4 10 B13R1.42 CCOC(=O)\C=C\c1ccccc1 M29141 [0,0,0,0,0,1|0,0,1]=2 11 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 M14688 [0,0,0,0,0,1|2,0,0]=3 12 B10R1.17 CCOCc1ccccc1 M28093 [2,0,0,0,0,0|0,0,0]=2 13 B10R1.17 OCCCC1=CC=CC=C1 M19330 [2,0,0,0,0,0|1,0,1]=4 14 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [2,0,0,0,0,0|1,0,1]=4 15 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.18 CC(=S)Nc1ccccc1 M27241 [2,0,0,0,0,0|1,1,0]=4 18 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.18 O=C(O)Cc1ccccc1 M19689 [2,0,0,0,0,0|0,0,0]=2 20 B12R1.30 CCCCC(O)C1=CC=CC=C1 M15139 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 M19939 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,1,0,0,1,0|1,0,0]=3 25 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 M18273 [0,1,0,0,1,0|0,0,0]=2 26 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [0,1,0,0,1,0|0,0,0]=2 27 B12R1.16 CCOC(=O)c1ccc(N)cc1 M24992 [0,1,0,0,1,0|0,0,0]=2 28 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.17 CCOC(=O)c1cccc(N)c1 M24908 [0,1,0,0,1,0|0,0,0]=2 30 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [0,1,0,0,1,0|1,0,1]=4 31 B12R1.308 CCOC(=O)C1=CC=CC=C1O M23356 [0,1,0,0,1,0|0,0,0]=2 32 B14R1.32 CCNC(=O)\C=C\C1=CC=CC(Br)=C1 M15146 [0,1,0,0,0,1|1,0,1]=4 33 B14R1.156 O=C(NCC1=CC=CC=C1)OCCO M22234 [0,1,0,0,0,1|0,0,0]=2 34 B14R1.502 CCOC(=O)\C=C\c1ccc(O)cc1 M24744 [0,1,0,0,0,1|0,0,1]=3 35 B14R1.5978 CC(C)OC(=O)Nc1cccc(Cl)c1 M21111 [0,2,0,0,0,0|1,0,0]=3 36 B14R1.423 O=C(O)CNC(=O)Cc1ccccc1 M20043 [0,2,0,0,0,0|1,0,1]=4 37 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [1,0,0,1,0,0|1,0,0]=3 38 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [1,0,0,1,0,0|0,0,0]=2 39 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [1,0,0,1,0,0|1,0,0]=3 40 B14R2.738 CC1CC(=O)Nc2ccccc2S1 M28385 [0,1,0,1,0,0|2,0,0]=4 41 B10R1.15 CNC(=O)c1ccccc1 M26316 [1,0,0,0,1,0|1,0,0]=3 42 B10R1.15 CNC(=O)c1cccnc1 M20018 [1,0,0,0,1,0|2,0,0]=4 43 B10R1.15 COC(=O)c1ccccn1 M27521 [1,0,0,0,1,0|1,0,0]=3 44 B10R1.15 COC(=O)c1cccnc1 M20301 [1,0,0,0,1,0|1,0,0]=3 45 B10R1.15 O=CC(=O)c1ccccc1 M28183 [1,0,0,0,1,0|1,0,1]=4 46 B14R1.520 CCOC(C)OCCC1=CC=CC=C1 M17723 [0,0,0,0,0,2|1,0,1]=4 47 B14R1.520 O=C(CCCl)NCCc1ccccc1 M22247 [0,0,0,0,0,2|2,0,0]=4