0 B6R1.2 BrC1=CC=NO1 A51037 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 BrC1=COC=N1 AT22646 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 FC1=CSC=C1 T72274 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 FC1=NC=CN1 F31129 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 O=C1NN=CO1 D96956 [0,0,0,0,0,0|3,0,0]=3 5 B5R1.1 C1=NN=CO1 F13208 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.1 C#CC1=CN=CN1 79521 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 ClCN1N=CC=N1 79276 [0,1,0,0,0,0|3,0,0]=4 8 B7R1.1 NCC1=CON=C1 H10991 [0,1,0,0,0,0|3,0,0]=4 9 B7R1.1 OCC1=NN=CO1 AT18766 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.1 OCC1=NSC=C1 AT21123 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,1,0,0,0,0|1,0,2]=4 12 B7R1.2 CC1=NC(N)=CS1 AC8716 [0,1,0,0,0,0|1,1,0]=3 13 B7R1.2 ClC1=CC(Br)=CS1 AT16572 [0,1,0,0,0,0|1,1,0]=3 14 B7R1.2 FC1=CN=C(Br)S1 P15332 [0,1,0,0,0,0|2,1,0]=4 15 B7R1.2 FC1=CSC(Br)=C1 T70774 [0,1,0,0,0,0|1,1,0]=3 16 B7R1.2 NC1=NC(Cl)=CS1 F13355 [0,1,0,0,0,0|2,1,0]=4 17 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.4 CC1=NNN=C1Br H10262 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.4 CN1CC=CC1=O N13365 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.4 ClC1=C(I)SC=C1 P18106 [0,1,0,0,0,0|1,1,0]=3 21 B7R1.4 FC1=C(Br)NC=N1 73198 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.4 FC1=CNC=C1F P18993 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.4 FC1=NNC=C1Br P15391 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.1 C=CC[C@H](C)N D84793 [0,0,1,0,0,0|1,0,2]=4 25 B4R0.1 C=C[C@H](C)N N11431 [1,0,1,0,0,0|1,0,1]=4 26 B6R0.3 C=CC(=O)C(=O)O AC9460 [0,1,1,0,0,0|1,0,0]=3 27 B6R0.3 C=C[C@H](N)C(=O)O F31036 [0,1,1,0,0,0|1,0,1]=4 28 B6R0.4 O=C(O)\C=C\CF AT12709 [0,1,1,0,0,0|1,0,1]=4 29 B6R0.4 O=C(O)\C=C\CO AT11505 [0,1,1,0,0,0|1,0,1]=4 30 B8R1.2 C#CC1=CC=CN=N1 37154 [0,1,0,0,0,1|1,0,1]=4 31 B8R1.3 FC1=CN=C(Cl)C=N1 P20780 [0,1,0,0,0,1|2,0,0]=4 32 B8R1.3 FC1=NN=C(Cl)C=C1 O10986 [0,1,0,0,0,1|2,0,0]=4 33 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [0,1,0,0,0,1|1,0,0]=3 34 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,0,0,1|1,0,1]=4 35 B8R1.4 FC1=NC=CC(Cl)=N1 P11997 [0,1,0,0,0,1|2,0,0]=4 36 B8R1.4 NC1=CC(=O)NN=C1 20219 [0,1,0,0,0,1|2,0,0]=4 37 B8R1.4 NC1=CC(Br)=CN=N1 P21037 [0,1,0,0,0,1|2,0,0]=4 38 B8R1.4 NC1=CC(Cl)=CN=N1 37766 [0,1,0,0,0,1|2,0,0]=4 39 B8R1.4 NC1=CC(I)=NC=C1 D96556 [0,1,0,0,0,1|2,0,0]=4 40 B8R1.4 NC1=NC=CC(F)=N1 P12222 [0,1,0,0,0,1|2,0,0]=4 41 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,1,0,0,0,1|1,0,0]=3 42 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.5 CC1=CN=NC=C1N P18597 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.5 NC1=C(Cl)C=CN=N1 D95227 [0,1,0,0,0,1|2,0,0]=4 45 B8R1.5 NC1=CC=NNC1=O 36341 [0,1,0,0,0,1|2,0,0]=4 46 B8R1.5 NC1=CC=NNC1=S P12544 [0,1,0,0,0,1|2,0,0]=4 47 B8R1.1 CC1=CSC(CN)=N1 C11625 [0,2,0,0,0,0|1,1,0]=4 48 B8R1.1 CC1=NC=C(CN)O1 C72631 [0,2,0,0,0,0|1,0,0]=3 49 B8R1.1 CCC1=CN=C(N)S1 C13826 [0,2,0,0,0,0|1,1,0]=4 50 B8R1.1 COC1=CN=C(N)S1 F14523 [0,2,0,0,0,0|1,1,0]=4 51 B8R1.1 N#CC1=CC(Br)=NO1 69277 [0,2,0,0,0,0|1,0,1]=4 52 B8R1.1 N#CC1=CC(Cl)=CN1 C75675 [0,2,0,0,0,0|1,0,1]=4 53 B8R1.1 NCC1=CC=C(F)S1 38845 [0,2,0,0,0,0|0,1,0]=3 54 B8R1.1 NCC1=NC=C(Cl)S1 W17904 [0,2,0,0,0,0|1,1,0]=4 55 B8R1.1 NCC1=NNC(F)=C1 P19970 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.1 OCC1=CC=C(F)S1 83085 [0,2,0,0,0,0|0,1,0]=3 57 B8R1.1 OCC1=NC=C(Br)O1 86228 [0,2,0,0,0,0|1,0,0]=3 58 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,2,0,0,0,0|0,0,0]=2 59 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [0,2,0,0,0,0|0,1,0]=3 60 B8R1.7 C[C@H](N)C1=COC=C1 D81573 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.7 C[C@H](N)C1=NNC=C1 AT26569 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.8 CNCC1=NC=CO1 66406 [0,2,0,0,0,0|1,0,0]=3 63 B8R1.8 COCC1=NNC=C1 AC8210 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.8 NCCC1=CN=CS1 S10751 [0,2,0,0,0,0|1,1,0]=4 65 B8R1.11 CC1=NOC=C1CN Y14820 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.11 CCN1N=CC=C1O AT26527 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.18 CN1C=C(Br)C(F)=N1 P17318 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.18 CN1C=C(F)C(Br)=N1 P20893 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.18 CN1N=C(Br)C=C1Br 97704 [0,2,0,0,0,0|2,0,0]=4 70 B8R1.18 CN1N=C(Cl)C=C1N P17875 [0,2,0,0,0,0|2,0,0]=4 71 B8R1.50 CC1=CNC(=O)N1C AT20167 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,2,0,0,0,0|0,1,0]=3