0 B8R1.3 FC1=CN=C(Cl)C=N1 P20780 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 FC1=NN=C(Cl)C=C1 O10986 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [0,1,0,0,0,0|2,0,1]=4 4 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [0,1,0,0,0,0|1,0,2]=4 5 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [0,1,0,0,0,0|2,0,1]=4 6 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.1 FC1=CN=C(CCl)N=C1 P16513 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.69 CC1=CNC(=O)C(Cl)=N1 N13244 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.69 CN1C=C(O)C=CC1=O P17267 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.69 CN1C=NC(Br)=CC1=O AC9854 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.69 CN1C=NC(N)=CC1=O CS2007 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.69 CN1N=CC(N)=CC1=O P12529 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.69 FC1=C(F)N=C(Br)C=C1 P12799 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.69 FC1=CC(Br)=C(Cl)C=N1 C71766 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.69 FC1=CC(I)=NC=C1Br P20686 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.69 FC1=CC=C(Br)C(I)=N1 D96928 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.69 NC1=C(F)C=CC(Cl)=N1 C90958 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.69 NC1=C(N)N=C(O)C=C1 79599 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [0,1,0,0,0,0|1,1,0]=3 27 B9R1.69 NC1=CC=C(F)N=C1I D96603 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.69 OC1=C(F)C=CC(Cl)=N1 CS2298 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.69 OC1=C(I)C=CC(Br)=N1 AC4863 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.69 OC1=C(I)C=NC(Cl)=C1 37869 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.2 CC1=NC(N)=CS1 AC8716 [0,0,0,0,1,0|3,0,0]=4 32 B7R1.2 ClC1=CC(Br)=CS1 AT16572 [0,0,0,0,1,0|3,0,0]=4 33 B7R1.2 FC1=CSC(Br)=C1 T70774 [0,0,0,0,1,0|3,0,0]=4 34 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,0,1,0|1,0,2]=4 35 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.5 CC1=CN=NC=C1N P18597 [1,1,0,0,0,0|2,0,0]=4 38 B8R1.1 NCC1=CC=C(F)S1 38845 [0,1,0,0,1,0|2,0,0]=4 39 B8R1.1 OCC1=CC=C(F)S1 83085 [0,1,0,0,1,0|2,0,0]=4 40 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.1 COCC1=NC=C(O)C=N1 P15188 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [0,2,0,0,0,0|0,0,0]=2 43 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 96125 [0,2,0,0,0,0|2,0,0]=4 50 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12227 [0,2,0,0,0,0|2,0,0]=4 51 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y14559 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10226 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [0,2,0,0,0,0|1,0,1]=4 54 B10R1.13 OC1=CN=C(C(F)F)C=C1 O11507 [0,2,0,0,0,0|1,0,0]=3 55 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,2,0,0,0,0|1,0,0]=3 56 B10R1.25 CC1=CC(F)=C(C=O)N=C1 AT25473 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [0,2,0,0,0,0|1,0,1]=4 58 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.25 N#CC1=C(Br)C=C(O)C=N1 D83960 [0,2,0,0,0,0|1,0,1]=4 60 B10R1.25 NC1=CC(Cl)=CN=C1CO P14259 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.25 NCC1=C(Cl)C=C(F)C=N1 BL010216 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.176 C#CC1=CC(N)=C(F)C=C1 C71057 [0,2,0,0,0,0|1,0,1]=4 63 B10R1.176 CC1=C(Br)C=C(C#N)N=C1 C72414 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [0,2,0,0,0,0|1,0,1]=4 66 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.176 FC1=C(Br)C=C(CCl)C=N1 C71877 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [0,2,0,0,0,0|0,0,0]=2 73 B10R1.176 NCC1=CN=C(Cl)C(Cl)=C1 D79849 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.176 OCC1=CC(Br)=C(F)N=C1 P17928 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.22 CC1=C(C)C(O)=CC(=O)N1 C76715 [0,2,0,0,0,0|1,0,1]=4 76 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 D82138 [0,2,0,0,0,0|1,0,1]=4 77 B10R1.22 CC1=C(Cl)C=C(Cl)C=C1N AC8599 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.22 CC1=CC(Cl)=CC(O)=C1I 72277 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.22 CC1=CC(N)=CC(Br)=C1C 55933 [0,2,0,0,0,0|1,0,0]=3 80 B10R1.22 CN1C(=O)C=C(Br)C=C1Cl AC8785 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.22 OC1=CC(F)=CC(Br)=C1F D96236 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.30 O=CC1=CC(F)=CN=C1O AT21536 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.118 CC1=C(Br)C=C(O)C(N)=C1 79590 [0,2,0,0,0,0|0,0,0]=2 89 B10R1.118 CC1=CC(=O)N(C)C=C1Br AC9836 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.118 CC1=CC(I)=C(N)C=C1Br AT14614 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.118 CC1=CC(N)=C(C)N=C1Cl 79484 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.118 CC1=CC(O)=C(Cl)C=C1O A11096 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.118 CN1C=C(F)C(Br)=CC1=O AC9530 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.118 NC1=C(Br)C=C(O)C(F)=C1 D80092 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.119 BrC1=C(Br)C(Br)=C(I)C=C1 AT25272 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.119 CC1=C(Br)C=CC(N)=C1O P20177 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.119 CC1=C(F)C=CC(O)=C1N D75565 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.119 CC1=CC=C(C)C(N)=C1C C13892 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.119 CC1=CC=C(F)C(C)=C1Br D74747 [0,2,0,0,0,0|1,0,0]=3 100 B10R1.119 CC1=CC=C(N)C(C)=C1I AC9073 [0,2,0,0,0,0|1,0,0]=3 101 B10R1.119 CC1=CN=C(N)C(C)=C1C D80400 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.119 CN1C=CC(I)=C(F)C1=O AC8182 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.119 NC1=C(F)C=CC(Br)=C1N AC4832 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.119 NC1=CC=C(Cl)C(Br)=C1Cl I11650 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.119 NC1=CC=C(Cl)C(Cl)=C1N W19346 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.119 NC1=CC=C(F)C(Cl)=C1N 79668 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.119 OC1=C(F)C=CC(Br)=C1O Y14674 [0,2,0,0,0,0|2,0,0]=4 108 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,1,0|2,0,0]=4