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|2,0,0]=2 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 NC1=NCC(=O)S1 C13281 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 BrC1=CC=NO1 A51037 [1,0,0,0,0,0|3,0,0]=4 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|2,0,0]=3 10 B6R1.2 O=C1NN=CO1 D96956 [1,0,0,0,0,0|2,1,0]=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|0,1,0]=2 13 B8R1.1 CCC1=CN=C(N)S1 C13826 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.1 CN1C=NC(CN)=N1 P18523 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.1 COC1=CN=C(N)S1 F14523 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.1 NCC1=CC=C(F)S1 38845 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.1 NCC1=NC=C(Cl)S1 W17904 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.1 NCC1=NN=C(Br)S1 86223 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.1 NCC1=NNC(F)=C1 P19970 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.1 O=CC1=NN=C(Cl)S1 Y11589 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.1 OCC1=CC=C(F)S1 83085 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.1 OCC1=NC=C(Br)O1 86228 [0,1,0,0,0,0|1,1,0]=3 23 B8R1.18 CN1C=C(Br)C(F)=N1 P17318 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.18 CN1C=C(Br)N=C1N D76428 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.18 CN1C=C(F)C(Br)=N1 P20893 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.50 CC1=C(Br)N(C)N=N1 D82136 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.50 CC1=CNC(=O)N1C AT20167 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.50 CN1C=NC(F)=C1Br 73202 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.3 FC1=CN=C(Cl)C=N1 P20780 [0,0,0,0,0,1|3,0,0]=4 31 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.4 FC1=NC=CC(Cl)=N1 P11997 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.4 NC1=CC(=O)NN=C1 20219 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.4 NC1=CC(Br)=CN=N1 P21037 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.4 NC1=CC(Cl)=CN=N1 37766 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.4 NC1=CC(I)=NC=C1 D96556 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.4 NC1=NC=CC(F)=N1 P12222 [0,0,0,0,0,1|3,0,0]=4 38 B5R1.1 C1=NN=CO1 F13208 [2,0,0,0,0,0|1,1,0]=4 39 B7R1.1 C#CC1=CN=CN1 79521 [1,1,0,0,0,0|1,0,1]=4 40 B7R1.1 ClCN1N=CC=N1 79276 [1,1,0,0,0,0|2,0,0]=4 41 B7R1.1 NCC1=CON=C1 H10991 [1,1,0,0,0,0|2,0,0]=4 42 B7R1.1 OCC1=NN=CO1 AT18766 [1,1,0,0,0,0|1,1,0]=4 43 B7R1.1 OCC1=NSC=C1 AT21123 [1,1,0,0,0,0|2,0,0]=4 44 B7R1.4 CC1=NNN=C1Br H10262 [1,1,0,0,0,0|2,0,0]=4 45 B7R1.4 ClC1=C(I)SC=C1 P18106 [1,1,0,0,0,0|2,0,0]=4 46 B7R1.4 FC1=C(Br)NC=N1 73198 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [0,1,0,0,0,1|1,0,1]=4 48 B9R1.1 FC1=CN=C(CCl)N=C1 P16513 [0,1,0,0,0,1|2,0,0]=4 49 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [0,1,0,0,0,1|2,0,0]=4 50 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [0,1,0,0,0,1|2,0,0]=4 52 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,1,0,0,0,1|2,0,0]=4 53 B9R1.69 CC1=CNC(=O)C(Cl)=N1 N13244 [0,1,0,0,0,1|2,0,0]=4 54 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,1,0,0,0,1|2,0,0]=4 55 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,1,0,0,0,1|1,0,1]=4 56 B9R1.2 CC1=CC(CCl)=NN=C1 F30431 [0,1,0,0,0,1|1,0,0]=3 57 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [0,1,0,0,0,1|1,0,1]=4 58 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [0,1,0,0,0,1|1,0,0]=3 59 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,1|2,0,0]=4 60 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,1|2,0,0]=4 61 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,1|2,0,0]=4 62 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,1|2,0,0]=4 63 B9R1.2 NC1=CC(CO)=NC=N1 CS2745 [0,1,0,0,0,1|2,0,0]=4 64 B9R1.2 NCC1=CC(=O)N=CN1 38507 [0,1,0,0,0,1|2,0,0]=4 65 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [0,1,0,0,0,1|2,0,0]=4 66 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,1,0,0,0,1|2,0,0]=4 67 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,1|2,0,0]=4 68 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [0,1,0,0,0,1|2,0,0]=4 69 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,1,0,0,0,1|2,0,0]=4 70 B9R1.34 CC1=CC(Br)=CC(F)=N1 91513 [0,1,0,0,0,1|2,0,0]=4 71 B9R1.34 CC1=CC(F)=NC(N)=C1 W15274 [0,1,0,0,0,1|2,0,0]=4 72 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C71881 [0,1,0,0,0,1|2,0,0]=4 73 B9R1.7 CC1=NC=C(CCO)S1 D96356 [0,2,0,0,0,0|0,0,0]=2 74 B9R1.7 CNCC1=CN(C)C=N1 P18387 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.22 CC1=C(CO)N=C(Br)S1 F12057 [0,2,0,0,0,0|1,0,0]=3 76 B9R1.22 CC1=CN(C)N=C1CO F50015 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.22 CC1=NC(C)=C(CN)O1 88380 [0,2,0,0,0,0|0,1,0]=3 78 B9R1.23 COC1=NC(C)=C(Br)S1 79703 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.23 COC1=NN(C)C(C)=C1 D94422 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.23 O=CC1=NC(Cl)=C(Cl)S1 P12624 [0,2,0,0,0,0|1,0,1]=4 81 B9R1.35 CC(C)C1=NC=C(N)S1 D96767 [0,2,0,0,0,0|1,0,0]=3 82 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,2,0,0,0,0|1,1,0]=4