0 B10R1.27 COC(=O)CC1=CN=CN1 F53522 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.13 O=C(O)CC1=CC=CN1 29609 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O F52519 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O D85261 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O F53130 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.35 O=C(O)[C@@H](O)CN1C=NC=N1 D92896 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,0,0,0,0,1|3,0,0]=4 9 B8R1.8 COCC1=CN=CN1 AC8003 [2,0,0,0,0,0|1,0,1]=4 10 B8R1.8 NCCC1=CC=CN1 31556 [2,0,0,0,0,0|1,0,0]=3 11 B8R1.8 NCCC1=CC=CN1 F10331 [2,0,0,0,0,0|1,0,0]=3 12 B8R1.8 NCCC1=CSC=C1 P10092 [2,0,0,0,0,0|2,0,0]=4 13 B8R1.8 NCCC1=NC=CN1 F18351 [2,0,0,0,0,0|2,0,0]=4 14 B8R1.8 NCCC1=NN=CS1 38315 [2,0,0,0,0,0|2,0,0]=4 15 B8R1.8 NCCC1=NN=NN1 31735 [2,0,0,0,0,0|2,0,0]=4 16 B8R1.8 NCCN1C=CN=C1 30762 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.8 NCCN1C=NC=N1 28092 [2,0,0,0,0,0|1,0,1]=4 18 B8R1.8 OCCC1=CC=CN1 AB10351 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [1,1,0,0,0,0|0,0,0]=2 22 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [1,1,0,0,0,0|1,0,0]=3 23 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.66 O=C(O)CCC1=CNN=C1 71939 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.66 O=C(O)CCC1=NC=CN1 69195 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.66 O=C(O)CCC1=NC=CN1 69196 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,1,0,0,0,1|1,0,0]=3 29 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O 78264 [0,2,0,0,0,0|2,0,0]=4 30 B12R1.1373 C[C@](N)(CC1=CNC=N1)C(=O)O FD21718 [0,2,0,0,0,0|0,0,2]=4 31 B10R2.32 O=C1CCN2C=CN=C12 W18257 [1,0,0,1,0,0|2,0,0]=4 32 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [0,0,0,1,0,1|2,0,0]=4 33 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [1,0,0,0,1,0|1,0,1]=4 34 B8R1.7 NC(=O)C1=CN=CO1 78451 [1,0,0,0,1,0|1,0,1]=4 35 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,0,0,0,1,0|1,0,1]=4