0 B8R1.1 CC1=CSC(CN)=N1 C11625 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC1=NC=C(CN)O1 C72631 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.1 NCC1=CC=C(F)S1 38845 [0,0,0,0,0,0|2,1,1]=4 3 B8R1.1 O=CC1=NN=C(Cl)S1 Y11589 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.1 OCC1=CC=C(F)S1 83085 [0,0,0,0,0,0|1,1,2]=4 5 B8R1.1 OCC1=NC=C(Br)O1 86228 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.2 CC1=NC(N)=CS1 AC8716 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.22 CC1=NC(C)=C(CN)O1 88380 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.23 CC1=C(Br)C=C(C#N)N1 W19337 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.23 O=CC1=NC(Cl)=C(Cl)S1 P12624 [0,1,0,0,0,0|2,1,0]=4 11 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.35 CC1=COC(C(=O)[O-])=N1 AT25441 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.35 CC1=NC(C(N)=S)=CO1 D79721 [0,1,0,0,0,0|2,1,0]=4 14 B9R1.35 CC1=NSC(C(=O)[O-])=N1 P17953 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11523 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 NC(=O)C1=CN=C(N)O1 D83519 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.35 O=C(O)C1=CC(Cl)=CO1 P20559 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.35 O=C(O)C1=CC(F)=CN1 W11739 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [0,0,0,0,0,1|3,0,0]=4 20 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [0,0,0,0,0,1|2,0,0]=3 22 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [0,0,0,0,0,1|1,0,0]=2 23 B9R1.1 O=CC1=NC=C(F)C=N1 38374 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,0,0,0,0,1|2,0,1]=4 25 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [0,0,0,0,0,1|1,0,0]=2 26 B9R1.2 O=CC1=NC=CC(Cl)=N1 F19651 [0,0,0,0,0,1|2,0,0]=3 27 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [0,0,0,0,0,1|2,0,0]=3 28 B6R0.4 O=C(O)\C=C\CF AT12709 [1,0,1,0,0,0|1,0,1]=4 29 B6R0.4 O=C(O)\C=C\CO AT11505 [1,0,1,0,0,0|1,0,1]=4 30 B6R0.9 C\C=C(\C=O)CC AC9866 [1,0,1,0,0,0|0,0,2]=4 31 B6R1.2 BrC1=CC=NO1 A51037 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 O=C1NN=CO1 D96956 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [1,1,0,0,0,0|1,0,1]=4 34 B8R1.50 CC1=CNC(=O)N1C AT20167 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [0,1,0,0,0,1|1,0,0]=3 37 B10R1.3 O=CC1=NC=C(CO)C=N1 AC2016 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.25 CC1=CC(F)=C(C=O)N=C1 AT25473 [0,1,0,0,0,1|1,0,0]=3 40 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [0,1,0,0,0,1|1,0,0]=3 41 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 CL0318 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 CL0320 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.25 O=CC1=CN=C(Cl)C=C1F AC8394 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.2 CC1=C(C=O)C=CN=C1Cl C76531 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.2 CN1C(=O)C=CC=C1C=O AT19298 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=N1 C72313 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.30 O=CC1=CC(F)=CN=C1O AT21536 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.14 COC(=O)C1=NC=C(C)N1 Y14700 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.54 CC1=NC(CC(=O)O)=CO1 E70433 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.31 CC(C)C1=COC(C=O)=C1 C11550 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.31 NCC1=NC=C(C(=O)O)S1 86635 [0,2,0,0,0,0|1,1,0]=4 59 B10R1.59 CN1C=C(F)C(C(=O)O)=N1 97594 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.58 CC1=C(Br)N=C(C(=O)O)N1 96268 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.194 CC1=C(N)C(C(=O)O)=CS1 C76086 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [0,0,1,1,0,0|2,0,0]=4