0 B10R1.27 CCC(N)CN1C=CN=C1 V9130 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.12 O=CCCN1C=CC=N1 5129AH [1,0,0,0,0,0|2,0,1]=4 2 B9R1.13 CC(N)CC1=CC=CO1 8493AB [1,0,0,0,0,0|2,0,1]=4 3 B9R1.13 CC(N)CN1C=CN=C1 5070AH [1,0,0,0,0,0|2,0,1]=4 4 B9R1.13 CC(N)CN1C=NC=N1 1709AF [1,0,0,0,0,0|1,0,2]=4 5 B9R1.13 NC(=O)CN1C=CN=C1 0131AC [1,0,0,0,0,0|2,0,1]=4 6 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [1,0,0,0,0,0|2,0,1]=4 7 B9R1.13 O=C(O)CC1=CN=CN1 7355AE [1,0,0,0,0,0|1,0,1]=3 8 B11R1.35 NC(CC1=COC=C1)C(=O)O 4688AB [0,1,0,0,0,0|2,0,0]=3 9 B11R1.35 NC(CC1=CSC=C1)C(=O)O 4687AB [0,1,0,0,0,0|2,0,0]=3 10 B11R1.35 NC(CC1=NC=CS1)C(=O)O 0260AA [0,1,0,0,0,0|2,0,1]=4 11 B11R1.35 NC(CN1C=CC=N1)C(=O)O 1495AJ [0,1,0,0,0,0|2,0,1]=4 12 B11R1.35 NC(CN1C=NC=N1)C(=O)O 2383AA [0,1,0,0,0,0|1,0,1]=3 13 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q849 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q870 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O Q850 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 3479AL [0,1,0,0,0,0|2,0,1]=4 17 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O 7655AA [0,1,0,0,0,0|2,0,0]=3 18 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [0,0,0,0,0,1|3,0,0]=4 19 B8R1.8 NCCC1=CC=CN1 1070AJ [2,0,0,0,0,0|1,0,0]=3 20 B8R1.8 NCCC1=CC=CN1 5556AB [2,0,0,0,0,0|1,0,0]=3 21 B8R1.8 NCCC1=CON=C1 5076AH [2,0,0,0,0,0|2,0,0]=4 22 B8R1.8 NCCC1=CSC=N1 2066AC [2,0,0,0,0,0|1,0,1]=4 23 B8R1.8 NCCC1=NC=CN1 9985AA [2,0,0,0,0,0|2,0,0]=4 24 B8R1.8 NCCC1=NC=NN1 1050AJ [2,0,0,0,0,0|1,0,1]=4 25 B8R1.8 NCCC1=NC=NN1 9546AE [2,0,0,0,0,0|1,0,1]=4 26 B8R1.8 NCCN1C=CN=C1 4503AH [2,0,0,0,0,0|2,0,0]=4 27 B8R1.8 NCCN1C=CN=C1 8445AB [2,0,0,0,0,0|2,0,0]=4 28 B8R1.8 NCCN1C=NC=N1 7160AB [2,0,0,0,0,0|1,0,1]=4 29 B8R1.8 NCCN1C=NC=N1 Y5405 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [1,1,0,0,0,0|2,0,0]=4 31 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [1,1,0,0,0,0|0,0,2]=4 33 B10R1.66 O=C(O)CCN1C=CN=C1 W4087 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,1,0,0,0,1|2,0,0]=4 35 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,1,0,0,0,1|1,0,1]=4 37 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,1,0,0,0,1|1,0,0]=3 38 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O X2941 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 4393AH [0,1,0,0,0,1|2,0,0]=4 40 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 4352AH [0,2,0,0,0,0|2,0,0]=4 41 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 4422AH [0,2,0,0,0,0|2,0,0]=4 42 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 4423AH [0,2,0,0,0,0|2,0,0]=4 43 B12R1.104 CN1C=NC(C[C@H](N)C(=O)O)=C1 V0979 [0,2,0,0,0,0|0,0,2]=4 44 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(=O)O 0298AB [0,2,0,0,0,0|0,0,1]=3 45 B12R1.145 CN1C=NC=C1C[C@@H](N)C(=O)O 7106AH [0,2,0,0,0,0|0,0,0]=2 46 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O N129 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.298 CNC(CC1=CNC=N1)C(=O)O Z5729 [0,2,0,0,0,0|0,0,2]=4 48 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O Z5689 [0,2,0,0,0,0|0,0,2]=4 49 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O Z5719 [0,2,0,0,0,0|0,0,2]=4 50 B10R2.7 C1=NC2=C(CCCC2)N1 1363AB [1,0,0,1,0,0|1,0,1]=4 51 B10R2.7 C1=NC2=C(CCNC2)N1 W7879 [1,0,0,1,0,0|2,0,0]=4 52 B10R2.7 C1=NC2=C(CCOC2)N1 9625AH [1,0,0,1,0,0|2,0,0]=4 53 B10R2.32 O=C1CCC2=C1SC=C2 W7014 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.18 NC1CC2=C(C=CC=C2)C1=O W7922 [0,0,0,1,0,1|2,0,0]=4 55 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [1,0,0,0,1,0|1,0,1]=4 56 B10R1.18 CC(N)CC1=CC=NC=C1 4587AH [1,0,0,0,0,1|1,0,1]=4 57 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [1,0,0,0,0,1|0,0,2]=4