0 B9R1.12 CNCCC1=CN=CN1 D86292 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.12 O=CCCN1C=CC=N1 H11819 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.13 C[C@H](N)CN1C=NC=N1 AT12353 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.13 NC(=O)CC1=CC=CN1 72456 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.35 C[C@@H](CC1=CC=CO1)C(=O)O W18641 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.35 C[C@@H](CN1C=NC=N1)C(=O)O AT12202 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.35 NC(=O)[C@@H](N)CC1=CNC=N1 W10599 [0,1,0,0,0,0|0,0,2]=3 11 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50248 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67399 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67406 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50228 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50247 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.35 N[C@@H](CC1=NC=CS1)C(=O)O N13108 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 51851 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O AC5797 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 C14801 [0,1,0,0,0,0|1,0,2]=4 20 B11R2.8 C[C@H]1CC2=C(C=CN2)C1=O 96727 [0,0,0,1,0,0|2,0,0]=3 21 B11R2.36 NC1=CN=C2N=CNC2=C1 C74684 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16701 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16702 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16703 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.11 C=C[C@H](N)C1=COC=C1 N16733 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.11 C=C[C@H](N)C1=COC=C1 N16734 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.11 C=C[C@H](N)C1=COC=C1 N16735 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.11 C=C[C@H](N)C1=CSC=N1 N14694 [0,0,0,0,1,0|2,0,1]=4 29 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,0,0,0,0,1|3,0,0]=4 30 B8R1.8 NCCC1=CN=CN1 S10979 [2,0,0,0,0,0|0,0,0]=2 31 B8R1.8 NCCC1=CNN=C1 AC1363 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.8 NCCC1=CNN=C1 D85886 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.8 NCCC1=COC=N1 AT18667 [2,0,0,0,0,0|1,0,1]=4 34 B8R1.8 O=CCC1=CC=CS1 O10539 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.8 O=CCC1=NN=CO1 W10330 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.54 NC1=NC=C(CC(=O)O)N1 C90531 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.64 CN1C=NC=C1CC(=O)O AT15592 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.43 O=C(O)[C@@H](O)CC1=CN=CC=C1 AT17758 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.104 CC1=CC=C(C[C@H](N)C(=O)O)S1 AC6731 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.104 CN1C=NC(C[C@H](N)C(=O)O)=C1 FD21681 [0,2,0,0,0,0|0,0,2]=4 44 B12R1.104 N[C@@H](CC1=CC=C(Cl)S1)C(=O)O A50381 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=C1 A50382 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=N1 AC1519 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O E72306 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O FD21705 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O FD21706 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O FD21704 [0,2,0,0,0,0|0,0,2]=4 51 B10R2.32 O=C1CCC2=C1C=NN2 D85467 [1,0,0,1,0,0|2,0,0]=4 52 B10R2.32 O=C1CCC2=CNC=C12 F12460 [1,0,0,1,0,0|1,0,1]=4 53 B10R2.32 O=C1CCN2C=NC=C12 C13949 [1,0,0,1,0,0|2,0,0]=4 54 B10R2.32 O=C1NCC2=CC=CN12 F52206 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,0,0,1,0,1|2,0,0]=4 56 B12R2.246 C[C@H]1CC2=C(C=CN2)C(=O)N1 96832 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.100 N[C@H]1CN2C=CN=C2NC1=O 51770 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [1,0,0,0,1,0|0,0,1]=3 59 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [1,0,0,0,1,0|1,0,1]=4 60 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [1,0,0,0,1,0|1,0,1]=4 61 B8R1.7 C[C@H](N)C1=NN=CN1 D75137 [1,0,0,0,1,0|1,0,1]=4 62 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,1|1,0,1]=4 63 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [1,0,0,0,0,1|1,0,1]=4 64 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [1,0,0,0,0,1|0,0,2]=4