0 B10R1.66 CC(=O)CCC1=NC=CS1 L20139 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.66 O=C(O)CCC1=CNC=N1 O30645 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 O=C(O)CCN1C=CC=C1 P35344 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 O=C(O)CCN1C=CC=N1 P35313 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P45498 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.12 CCNCC1=CC=CO1 P41212 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.12 CNCCC1=CC=CS1 P42768 [1,0,0,0,0,0|2,1,0]=4 8 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O O28616 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O O28615 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O O28680 [0,1,0,0,0,0|2,1,0]=4 11 B11R1.35 O=C(O)[C@H](O)CC1=CC=CS1 P35098 [0,1,0,0,0,0|2,1,0]=4 12 B11R1.77 NC(CC(=O)O)C1=CC=CS1 P40323 [0,1,0,0,0,0|2,1,0]=4 13 B11R2.36 CC1=CC=C2OC=CC2=C1 P40313 [0,0,0,1,0,0|2,0,1]=4 14 B11R2.36 O=C1CCC2=C(C=CN2)C1 Q65373 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [0,0,0,0,1,0|1,1,0]=3 16 B9R1.13 O=C(O)CC1=CC=NN1 O29915 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.13 O=C(O)CC1=CNC=N1 H-8782 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.13 O=C(O)CC1=CSC=N1 O30547 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.13 O=C(O)CC1=NNC=C1 P51092 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,0,1|2,0,1]=4 21 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.91 O=C(O)CCC1=NC=CC=N1 Q60533 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.91 O=C(O)CCC1=NC=NC=C1 Q60531 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [0,0,0,0,0,1|3,0,0]=4 27 B8R1.8 CNCC1=CC=CO1 K10906 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.8 COCC1=CC=CS1 N26844 [2,0,0,0,0,0|0,1,0]=3 29 B8R1.8 N#CCC1=CC=CO1 H-8398 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.8 NCCC1=CC=CO1 O34064 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.8 O=CCN1C=CC=N1 S72479 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.23 NC(C(=O)O)C1=CC=CO1 P40590 [0,1,0,0,1,0|1,0,0]=3 33 B10R1.23 NC(C(=O)O)C1=CC=CS1 O28791 [0,1,0,0,1,0|1,1,0]=4 34 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 G-7084 [0,1,0,0,1,0|1,1,0]=4 35 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 P36827 [0,1,0,0,1,0|1,1,0]=4 36 B10R1.54 CC(=O)OC1=CC(=O)CC1 H-8116 [0,1,0,0,1,0|1,0,1]=4 37 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 L13760 [0,1,0,0,1,0|1,0,1]=4 38 B10R1.54 O=C(O)CC1=CC=C(Br)S1 O31012 [0,1,0,0,1,0|1,1,0]=4 39 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.21 CC(=O)NCC1=NC=C(Cl)N=C1 O31560 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.21 CC(=O)NCC1=NC=C(N)C=C1 O29811 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Q58283 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 P42031 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.125 CC(=O)NCC1=CC=CC=C1Br P36330 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.226 CC(=O)NCC1=NC(N)=CC=C1 O30062 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 P37059 [0,2,0,0,0,0|1,0,1]=4 49 B12R1.15 COC(=O)CC(N)C1=CC=CO1 M22776 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.15 COC(=O)CC(N)C1=CC=CS1 P39534 [0,2,0,0,0,0|1,1,0]=4 51 B12R1.870 CC(=O)OCC1=C(Br)C(C)=NO1 Q65623 [0,2,0,0,0,0|1,0,0]=3 52 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [0,0,1,1,0,0|2,0,0]=4 53 B10R2.71 O=C1CC2C=CC(C1)O2 I-9170 [0,0,0,1,1,0|0,0,2]=4 54 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,1,0,1|2,0,0]=4 55 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,1,0,1|2,0,0]=4 56 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [0,0,0,1,0,1|2,0,0]=4 57 B8R1.7 CC(=O)C1=CNC=N1 P51504 [0,0,0,0,2,0|2,0,0]=4 58 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [0,0,0,0,2,0|2,0,0]=4 59 B8R1.7 CC(C)C1=CC=CO1 A-982 [0,0,0,0,2,0|1,0,1]=4 60 B8R1.7 NC(=O)C1=CC=CN1 P38018 [0,0,0,0,2,0|2,0,0]=4 61 B8R1.7 NC(=O)C1=CN=CO1 O31664 [0,0,0,0,2,0|2,0,0]=4 62 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,0,0,0,2,0|2,0,0]=4 63 B8R1.7 O=C([O-])C1=NC=CO1 K16120 [0,0,0,0,2,0|2,0,0]=4 64 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,0,0,0,0,1|1,0,1]=4 65 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,0,0,0,0,1|2,0,0]=4