0 B7R1.2 CC1=NC(N)=CS1 AC8716 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 ClC1=CC(Br)=CS1 AT16572 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 FC1=CN=C(Br)S1 P15332 [0,0,0,0,0,0|3,1,0]=4 3 B7R1.2 FC1=CSC(Br)=C1 T70774 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 NC1=NC(Cl)=CS1 F13355 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 BrC1=CC=NO1 A51037 [1,0,0,0,0,0|2,0,0]=3 7 B6R1.2 BrC1=COC=N1 AT22646 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 FC1=NC=CN1 F31129 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 O=C1NN=CO1 D96956 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.1 CC1=CSC(CN)=N1 C11625 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.1 CC1=NC=C(CN)O1 C72631 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.1 CCC1=CN=C(N)S1 C13826 [0,1,0,0,0,0|2,1,0]=4 14 B8R1.1 CN1C=NC(CN)=N1 P18523 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.1 COC1=CN=C(N)S1 F14523 [0,1,0,0,0,0|2,1,0]=4 16 B8R1.1 NCC1=CC=C(F)S1 38845 [0,1,0,0,0,0|1,1,0]=3 17 B8R1.1 NCC1=NC=C(Cl)S1 W17904 [0,1,0,0,0,0|2,1,0]=4 18 B8R1.1 OCC1=CC=C(F)S1 83085 [0,1,0,0,0,0|1,1,0]=3 19 B8R1.1 OCC1=NC=C(Br)O1 86228 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.18 CN1C=C(Br)C(F)=N1 P17318 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.18 CN1C=C(F)C(Br)=N1 P20893 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.18 CN1N=C(Br)C=C1Br 97704 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.18 CN1N=C(Cl)C=C1N P17875 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.50 CC1=CNC(=O)N1C AT20167 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.4 O=C(O)\C=C\CF AT12709 [0,0,1,0,0,0|2,0,1]=4 27 B6R0.4 O=C(O)\C=C\CO AT11505 [0,0,1,0,0,0|2,0,1]=4 28 B8R1.3 FC1=NN=C(Cl)C=C1 O10986 [0,0,0,0,0,1|3,0,0]=4 29 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [0,0,0,0,0,1|2,0,0]=3 30 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,0,0,0,0,1|2,0,1]=4 31 B8R1.4 FC1=NC=CC(Cl)=N1 P11997 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.4 NC1=CC(I)=NC=C1 D96556 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.4 NC1=NC=CC(F)=N1 P12222 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,0,0,0,0,1|3,0,0]=4 35 B5R1.1 C1=NN=CO1 F13208 [2,0,0,0,0,0|2,0,0]=4 36 B7R1.1 OCC1=NN=CO1 AT18766 [1,1,0,0,0,0|2,0,0]=4 37 B7R1.1 OCC1=NSC=C1 AT21123 [1,1,0,0,0,0|2,0,0]=4 38 B7R1.4 CN1CC=CC1=O N13365 [1,1,0,0,0,0|2,0,0]=4 39 B7R1.4 ClC1=C(I)SC=C1 P18106 [1,1,0,0,0,0|1,1,0]=4 40 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [0,1,0,0,0,1|1,0,1]=4 41 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [0,1,0,0,0,1|2,0,0]=4 42 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [0,1,0,0,0,1|2,0,0]=4 43 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [0,1,0,0,0,1|2,0,0]=4 44 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,1,0,0,0,1|2,0,0]=4 45 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,1,0,0,0,1|2,0,0]=4 46 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,1,0,0,0,1|1,0,1]=4 47 B9R1.2 CC1=CC(CCl)=NN=C1 F30431 [0,1,0,0,0,1|2,0,0]=4 48 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [0,1,0,0,0,1|1,0,1]=4 49 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [0,1,0,0,0,1|2,0,0]=4 50 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,1|2,0,0]=4 52 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,1|2,0,0]=4 53 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,1|2,0,0]=4 54 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [0,1,0,0,0,1|2,0,0]=4 55 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,1,0,0,0,1|2,0,0]=4 56 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,1|2,0,0]=4 57 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [0,1,0,0,0,1|2,0,0]=4 58 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,1,0,0,0,1|2,0,0]=4 59 B9R1.34 CC1=CC(Br)=CC(F)=N1 91513 [0,1,0,0,0,1|2,0,0]=4 60 B9R1.34 CC1=CC(F)=NC(N)=C1 W15274 [0,1,0,0,0,1|2,0,0]=4 61 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C71881 [0,1,0,0,0,1|2,0,0]=4 62 B9R1.7 CC1=NC=C(CCO)S1 D96356 [0,2,0,0,0,0|1,1,0]=4 63 B9R1.22 CC1=CN(C)N=C1CO F50015 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.22 CC1=NC(C)=C(CN)O1 88380 [0,2,0,0,0,0|1,0,0]=3 65 B9R1.23 CC1=C(Br)C=C(C#N)N1 W19337 [0,2,0,0,0,0|1,0,1]=4 66 B9R1.23 COC1=NC(C)=C(Br)S1 79703 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.23 COC1=NN(C)C(C)=C1 D94422 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,2,0,0,0,0|0,0,0]=2 69 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11523 [0,2,0,0,0,0|1,0,0]=3