0 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13914 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13915 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [1,0,0,0,0,0|1,0,1]=3 3 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [1,0,0,0,0,0|1,1,1]=4 4 B8R1.7 O=C(O)C1=NC=NS1 AC1260 [1,0,0,0,0,0|2,1,0]=4 5 B8R1.8 CNCC1=NC=CO1 66406 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.8 COCC1=NNC=C1 AC8210 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.14 COC(=O)C1=NC=C(C)N1 Y14700 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.14 COC(=O)C1=NC=C(N)S1 P13279 [0,1,0,0,0,0|1,1,0]=3 9 B10R1.14 COC(=O)C1=NNC(I)=C1 P14584 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 C77356 [0,1,0,0,0,0|0,0,3]=4 11 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 E70292 [0,1,0,0,0,0|1,0,2]=4 12 B10R1.149 COC(=O)C1=NNC=C1F P16729 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.149 COC(=O)[C@@H]1OCCC1=O P20904 [0,1,0,0,0,0|0,0,3]=4 14 B8R0.3 CO\C=C(/I)C(=O)OC 78865 [0,0,1,0,0,0|2,0,1]=4 15 B10R2.32 O=C1CCN2C=NC=C12 65837 [0,0,0,1,0,0|3,0,0]=4 16 B10R2.32 O=C1NCC2=C1C=CS2 94719 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [0,0,0,0,1,0|0,0,3]=4 18 B7R0.3 COC(=O)\C=C\CN AT20735 [1,0,1,0,0,0|1,0,1]=4 19 B7R0.10 C=C(OC)C(=O)OC 78623 [1,0,1,0,0,0|0,0,1]=3 20 B9R0.35 C=CC[C@H](O)C(=O)OCC AC9119 [0,1,1,0,0,0|0,0,2]=4 21 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [1,1,0,0,0,0|1,0,1]=4 22 B9R1.35 CC1=COC(C(=O)[O-])=N1 AT25441 [1,1,0,0,0,0|1,0,1]=4 23 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11523 [1,1,0,0,0,0|1,0,1]=4 24 B9R1.35 NC(=O)C1=CN=C(N)O1 D83519 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.35 O=C(O)C1=CC(Cl)=CO1 P20559 [1,1,0,0,0,0|0,0,0]=2 26 B9R1.35 O=C(O)C1=CC(F)=CN1 W11739 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.41 CC1=CON=C1C(=O)O C74055 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.22 CCC(=O)C1=NC=C(Br)C=N1 C72382 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.22 COC(=O)C1=NC=C(N)C=N1 82661 [0,1,0,0,0,1|1,0,0]=3 32 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,1,0,0,0,1|1,0,0]=3 34 B11R1.222 COC(=O)C1=C(C)C=NN=C1 38774 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.39 COC(=O)CC1=CN=C(Cl)S1 C72666 [0,1,0,0,0,1|1,1,0]=4 36 B11R1.15 CCOC(=O)C1=CC(N)=NO1 AC5337 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.15 CCOC(=O)C1=NNC(F)=C1 P15484 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.199 CCOC(=O)C1=C(F)NC=N1 F30601 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.44 CCC1=CNC(C(=O)OC)=C1 C15752 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.44 COC(=O)C1=CC(CO)=CN1 D72120 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.44 COC(=O)C1=CC=C(C#N)N1 C77228 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.225 COC(=O)C1=C(C)SC(Br)=C1 78904 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.865 COC(=O)C1=C(N)N(C)C=N1 88959 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.59 COC(=O)C1=C(CN)SC=C1 AT10257 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.875 COC(=O)C1=C(Br)C=CN1N D96668 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.875 COC(=O)C1=C(N)SC=C1Br H10196 [0,2,0,0,0,0|2,0,0]=4 47 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,0,0,1,0,1|2,0,0]=4 48 B11R1.40 COC(=O)CC1=CN=NC=C1 37090 [0,0,0,0,0,2|2,0,0]=4