0 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.18 O=C1NC2=CC=CC=C2C1=O M19257 [0,0,0,0,0,0|1,0,1]=2 2 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [1,0,0,0,0,0|2,0,0]=3 3 B11R2.1 Nn1nnc2ccccc21 M20548 [1,0,0,0,0,0|2,0,1]=4 4 B11R2.10 NC1=NC2=CC=CC=C2S1 M11521 [1,0,0,0,0,0|2,0,1]=4 5 B11R2.10 O=C1Cc2ccccc2N1 M22658 [1,0,0,0,0,0|1,0,0]=2 6 B11R2.10 O=C1NC2=CC=CC=C2N1 M15321 [1,0,0,0,0,0|0,0,0]=1 7 B11R2.10 S=C1NC2=CC=CC=C2S1 M23643 [1,0,0,0,0,0|1,1,0]=3 8 B13R2.5190 O=C1Nc2cc(O)ccc2C1=O M29518 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 M14651 [0,0,1,0,0,0|3,0,0]=4 10 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,0,1,0,0,0|2,0,1]=4 11 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [0,0,1,0,0,0|3,0,0]=4 12 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [0,0,1,0,0,0|2,0,0]=3 14 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [0,0,1,0,0,0|2,0,0]=3 15 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [0,0,1,0,0,0|2,0,0]=3 16 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 M13169 [0,0,0,0,0,1|2,0,1]=4 17 B13R2.328 O=C1NC(=O)c2ccccc2N1 M21342 [0,0,0,0,0,1|1,0,1]=3 18 B13R2.328 O=c1cc(O)c2ccccc2o1 M22660 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.328 Oc1cc(O)c2ccccc2c1 M23480 [0,0,0,0,0,1|2,0,1]=4 20 B13R2.369 CN1Cc2ccccc2NC1=O M28377 [0,0,0,0,0,1|1,0,0]=2 21 B13R2.369 O=C1Oc2ccccc2C=C1O M21324 [0,0,0,0,0,1|2,0,0]=3 22 B13R2.369 O=c1nc2ccccc2nc1=O M27269 [0,0,0,0,0,1|1,0,2]=4 23 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,0,1,0,0,0|2,0,0]=4 24 B10R1.15 NCC(O)c1ccccc1 M19713 [1,0,1,0,0,0|1,0,1]=4 25 B10R1.15 O=CC(=O)c1ccccc1 M28183 [1,0,1,0,0,0|1,0,1]=4 26 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [1,0,1,0,0,0|1,0,0]=3 27 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.18 CC(=S)Nc1ccccc1 M27241 [1,0,1,0,0,0|1,1,0]=4 29 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.18 O=C(O)Cc1ccccc1 M19689 [1,0,1,0,0,0|1,0,0]=3 31 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.4 C=CCc1ccccc1O M27275 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.20 COc1ccccc1C=O M28053 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.61 Cc1ccccc1C(=O)O M21382 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.61 Nc1ccccc1C(=O)O M19857 [1,0,1,0,0,0|1,0,0]=3 36 B10R1.61 O=C(O)C1=CC=CC=C1I M24907 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [1,0,1,0,0,0|2,0,0]=4 38 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 M20044 [0,1,1,0,0,0|2,0,0]=4 40 B12R1.225 O=C(O)C(O)c1cccc(O)c1 M20931 [0,1,1,0,0,0|2,0,0]=4 41 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [0,1,1,0,0,0|2,0,0]=4 42 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [0,1,1,0,0,0|2,0,0]=4 43 B12R1.75 CSC1=CC=CC=C1NC(C)=O M15386 [0,1,1,0,0,0|2,0,0]=4 44 B12R2.1 OCC1=CNC2=C1C=CC=C2 M15686 [1,1,0,0,0,0|1,0,0]=3 45 B12R2.612 ClC1=CNC2=C1C=CC(Br)=C2 M29563 [1,1,0,0,0,0|2,0,0]=4 46 B12R2.606 O=C1Cc2cc(O)ccc2N1 M28142 [1,1,0,0,0,0|1,0,0]=3 47 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 M16810 [1,1,0,0,0,0|1,0,0]=3 48 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 M13202 [1,1,0,0,0,0|1,0,0]=3 49 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 M14670 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 M23239 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.1146 COc1cc(=O)oc2ccccc12 M22647 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.8235 Cc1ccc2oc(=O)cc(O)c2c1 M22646 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.29365 O=C1NC(=O)C2=CC=C(Br)C=C2N1 M29556 [0,1,0,0,0,1|1,0,1]=4 54 B14R2.29365 O=c1cc(O)c2ccc(O)cc2o1 M18195 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.8239 CN1Cc2cc(Br)ccc2NC1=O M22252 [0,1,0,0,0,1|1,0,0]=3 56 B14R2.738 CC1CC(=O)Nc2ccccc2S1 M28385 [0,0,0,0,0,2|2,0,0]=4