0 B9R1.13 O=C(O)CC1=CN=CN1 AK-35977 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.35 N[C@@H](CC1=CNC=N1)C(O)=O AK-81267 [0,1,0,0,0,0|0,0,2]=3 2 B11R1.35 O=C(O)C(N)CC1=CN=CS1 AK683578 [0,1,0,0,0,0|1,0,0]=2 3 B11R1.35 O=C(O)[C@@H](N)CC1=CC=CS1 AK-91723 [0,1,0,0,0,0|2,0,0]=3 4 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 AK114060 [0,1,0,0,0,0|0,0,2]=3 5 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 AK544994 [0,1,0,0,0,0|0,0,2]=3 6 B11R1.35 O=C(O)[C@H](N)CC1=CC=CO1 AK112811 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.35 O=C(O)[C@H](N)CC1=CNC=N1 AK-54076 [0,1,0,0,0,0|0,0,2]=3 8 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,0,0,0,0,1|3,0,0]=4 9 B8R1.8 ClCCC1=CN=CN1 AK-40927 [2,0,0,0,0,0|1,0,0]=3 10 B8R1.8 NCCC1=CC=CS1 AK-44822 [2,0,0,0,0,0|2,0,0]=4 11 B8R1.8 NCCC1=CN=CS1 AK140134 [2,0,0,0,0,0|1,0,0]=3 12 B8R1.8 NCCC1=CNC=N1 AK-29414 [2,0,0,0,0,0|0,0,2]=4 13 B8R1.8 NCCC1=CSC=C1 AK-28310 [2,0,0,0,0,0|2,0,0]=4 14 B8R1.8 NCCC1=CSC=C1 AK-49962 [2,0,0,0,0,0|2,0,0]=4 15 B8R1.8 NCCC1=NC=CN1 AK170004 [2,0,0,0,0,0|2,0,0]=4 16 B8R1.8 NCCN1C=CN=C1 AK-26623 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.8 NCCN1C=CN=C1 AK-33443 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.8 OCCC1=CN=CN1 AK144733 [2,0,0,0,0,0|0,0,1]=3 19 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.66 O=C(O)CCC1=NC=CN1 AK-33774 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,1,0,0,0,1|2,0,0]=4 22 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,1,0,0,0,1|1,0,1]=4 23 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,1,0,0,0,1|2,0,0]=4 24 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,1,0,0,0,1|1,0,1]=4 25 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,1,0,0,0,1|1,0,0]=3 26 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,1,0,0,0,1|1,0,0]=3 28 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,1,0,0,0,1|1,0,0]=3 29 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,1,0,0,0,1|1,0,0]=3 30 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,1,0,0,0,1|1,0,0]=3 31 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,1,0,0,0,1|1,0,0]=3 33 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.104 O=C(O)[C@@H](N)CC1=CC=C(Br)S1 AK114773 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.104 O=C(O)[C@H](N)CC1=CC=C(Br)S1 AK114810 [0,2,0,0,0,0|2,0,0]=4 36 B10R2.7 C12=C(CCCC1)N=CN2 AK-34912 [1,0,0,1,0,0|1,0,1]=4 37 B10R2.7 C=12N=CNC1CCNC2 AK-75890 [1,0,0,1,0,0|2,0,0]=4 38 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.246 NC1NC(=O)C2=NC=NC2=N1 AK-59807 [0,1,0,1,0,0|1,0,1]=4 40 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,1,0|1,0,1]=4 41 B8R1.7 C1=C([N+]([O-])=O)[NH]C=N1 AK-34599 [1,0,0,0,1,0|2,0,0]=4 42 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,0,0,0,0,1|2,0,0]=4 43 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [1,0,0,0,0,1|1,0,1]=4