0 B11R1.77 NC(CC(=O)O)C1=CC=CS1 P40323 [0,0,0,0,0,0|2,1,1]=4 1 B10R1.11 CCOC(=O)C1=CN=CO1 G-7649 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.11 N#CCC(=O)C1=CC=CO1 P38856 [1,0,0,0,0,0|1,0,1]=3 3 B10R1.11 N#CCC(=O)C1=CC=CS1 P38721 [1,0,0,0,0,0|1,1,1]=4 4 B10R1.66 CC(=O)CCC1=NC=CS1 L20139 [1,0,0,0,0,0|1,1,1]=4 5 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P45498 [1,0,0,0,0,0|1,0,1]=3 6 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 P37059 [0,1,0,0,0,0|0,0,0]=1 7 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 P41578 [0,1,0,0,0,0|0,1,0]=2 8 B12R1.15 COC(=O)CC(=O)C1=COC=C1 P40039 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.15 COC(=O)CC(=O)C1=CSC=C1 P40289 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.15 COC(=O)CC(N)C1=CC=CO1 M22776 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.15 COC(=O)CC(N)C1=CC=CS1 P39534 [0,1,0,0,0,0|1,1,1]=4 12 B12R2.246 O=C1NC(=O)C2=CC=CN2N1 G-6063 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.23 NC(C(=O)O)C1=CC=CO1 P40590 [0,0,0,0,1,0|2,0,1]=4 14 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 P35917 [0,0,0,0,0,1|2,0,1]=4 15 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.11 COC(=O)C1=CN=CO1 O30359 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.11 O=C(CBr)C1=CC=CS1 P43533 [2,0,0,0,0,0|1,1,0]=4 18 B9R1.11 O=CC(=O)C1=CC=CS1 P41441 [2,0,0,0,0,0|0,1,0]=3 19 B11R1.29 NCCNC(=O)C1=CC=CO1 P35954 [1,1,0,0,0,0|1,0,1]=4 20 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O O28616 [1,1,0,0,0,0|1,0,1]=4 21 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O O28615 [1,1,0,0,0,0|1,0,1]=4 22 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 P40074 [0,1,0,0,0,1|1,0,0]=3 23 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 10666 [0,1,0,0,0,1|1,0,0]=3 24 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 P37489 [0,1,0,0,0,1|1,0,0]=3 25 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 P35904 [0,1,0,0,0,1|1,0,0]=3 26 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 P36252 [0,1,0,0,0,1|1,0,0]=3 27 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 P38253 [0,1,0,0,0,1|1,0,0]=3 28 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 P38255 [0,1,0,0,0,1|1,0,0]=3 29 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 O34260 [0,1,0,0,0,1|1,0,0]=3 30 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 P39000 [0,1,0,0,0,1|1,0,0]=3 31 B13R1.147 CC(=O)CC(=O)C1=CC=CC(Br)=C1 P41012 [0,1,0,0,0,1|1,0,0]=3 32 B13R1.147 CC(=O)CC(=O)C1=CC=CC(C)=C1 P37054 [0,1,0,0,0,1|1,0,0]=3 33 B13R1.147 CC(=O)CC(=O)C1=CC=CC(Cl)=C1 P41819 [0,1,0,0,0,1|1,0,0]=3 34 B13R1.147 CC(=O)CC(=O)C1=CC=CC(F)=C1 P36175 [0,1,0,0,0,1|1,0,0]=3 35 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Br P37336 [0,1,0,0,0,1|1,0,0]=3 36 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C O30227 [0,1,0,0,0,1|1,0,0]=3 37 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Cl P37383 [0,1,0,0,0,1|1,0,0]=3 38 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1F P41717 [0,1,0,0,0,1|1,0,0]=3 39 B13R1.33 CCOC(=O)CC(=O)C1=CC=CO1 P37058 [0,2,0,0,0,0|0,0,0]=2 40 B13R1.33 CCOC(=O)CC(=O)C1=COC=C1 P38498 [0,2,0,0,0,0|2,0,0]=4 41 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 P37605 [0,2,0,0,0,0|2,0,0]=4 42 B13R1.33 CCOC(=O)CC(=O)C1=NC=CS1 P39777 [0,2,0,0,0,0|1,1,0]=4 43 B11R1.157 O=C(O)CC1=NC(O)=CC=C1 S72816 [0,0,1,1,0,0|2,0,0]=4 44 B11R1.86 CC(=O)CC1=NC=CC=C1Br Q58439 [0,0,1,1,0,0|2,0,0]=4 45 B11R1.86 CC(=O)CC1=NC=CC=C1Cl Q58438 [0,0,1,1,0,0|2,0,0]=4 46 B11R1.86 O=C(O)CC1=NC=CC=C1O F-4648 [0,0,1,1,0,0|2,0,0]=4 47 B11R2.106 O=C1NC=CC2=C1OC=C2 P44626 [1,0,0,1,0,0|1,0,1]=4 48 B11R2.36 CC1=CC=C2OC=CC2=C1 P40313 [1,0,0,1,0,0|1,0,1]=4 49 B11R2.36 O=C1CCC2=C(C=CN2)C1 Q65373 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [1,0,0,0,1,0|1,1,0]=4 51 B11R1.16 CCCC(=O)C1=CC=CN=C1 P40625 [1,0,0,0,0,1|1,0,1]=4 52 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,0,0,0,0,2|1,0,0]=3 53 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 P40954 [0,0,0,0,0,2|2,0,0]=4