0 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC1=CC=C(C(=N)N)C=N1 W4264 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 CC1=CC=C(C(N)=S)C=N1 5826AD [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CN(C)C1=CC=C(N)C=C1 8439AL [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 Z1901 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 W7687 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 0105AB [0,0,0,0,0,0|4,0,0]=4 8 B10R1.13 N=C(N)C1=CC=C(F)C=C1 Y5354 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.1 C=CC1=CC=C(N)C=C1 2121AA [1,0,0,0,0,0|2,0,0]=3 13 B9R1.1 C=CC1=NC=C(C)N=C1 6751AA [1,0,0,0,0,0|1,0,0]=2 14 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.1 CC1=CC=C(CN)N=N1 0211AA [1,0,0,0,0,0|2,0,1]=4 16 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.1 CC1=CC=C([Hg]Cl)C=C1 7857AF [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 CC1=NC=C(CBr)C=C1 2397AC [1,0,0,0,0,0|1,0,1]=3 19 B9R1.1 CCC1=CC=C(Br)N=N1 7660AA [1,0,0,0,0,0|2,0,1]=4 20 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [1,0,0,0,0,0|0,0,1]=2 21 B9R1.1 COC1=NC=C(C)N=C1 2866AB [1,0,0,0,0,0|2,0,0]=3 22 B9R1.1 CSC1=CN=C(F)C=C1 Y3574 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.1 CSC1=NC=C(C)N=C1 2880AB [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 C=C(Br)C1=NC=CC=C1 Y9784 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 CC(C)C1=NC=CN=C1 R572 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [1,0,0,0,0,0|3,0,0]=4 30 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [1,0,0,0,0,0|2,0,0]=3 33 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 7667AH [1,0,0,0,0,0|3,0,0]=4 38 B11R1.3 COC1=CC=C(C(=N)N)C=C1 1267AB [0,1,0,0,0,0|3,0,0]=4 39 B11R1.3 N=C(N)C1=CC=C(CN)C=C1 2627AL [0,1,0,0,0,0|3,0,0]=4 40 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [0,1,0,0,0,0|2,0,0]=3 41 B11R1.21 NC(=O)C1=CC(Br)=C(N)N=C1 9821AC [0,1,0,0,0,0|3,0,0]=4 42 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X8846 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 6779AB [0,1,0,0,0,0|3,0,0]=4 44 B11R1.22 OCC(O)C1=CC=C(Br)N=C1 X3543 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.166 CC1=CC(Cl)=C(C(=N)N)C=C1 1656AJ [0,1,0,0,0,0|3,0,0]=4 46 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.1 C=C\C(C)=C\CC=C(C)C X3871 [0,0,1,0,0,0|1,0,2]=4 48 B9R0.7 C=C(C)COC(=O)C(=C)C O816 [0,0,1,0,0,0|3,0,0]=4 49 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.35 CC1=NNC(C(N)=O)=C1 4470AD [0,0,0,0,1,0|3,0,0]=4 53 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 7899AF [0,0,0,0,0,1|3,0,0]=4 54 B11R1.20 CC(C)OC1=CN=C(F)C=C1 Z1060 [0,0,0,0,0,1|1,0,2]=4 55 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 9852AE [0,0,0,0,0,1|3,0,0]=4 56 B11R1.20 CC1=CC=C(OC(=S)Cl)C=C1 3716AF [0,0,0,0,0,1|3,0,0]=4 57 B8R1.2 BrCC1=CN=CC=C1 0834AC [2,0,0,0,0,0|1,0,1]=4 58 B8R1.2 CNC1=CC=CC=C1 7883AF [2,0,0,0,0,0|2,0,0]=4 59 B8R1.3 CC1=CC=C(C)C=C1 X8103 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.3 CC1=CC=C(O)C=C1 7878AF [2,0,0,0,0,0|2,0,0]=4 61 B8R1.3 NC1=CN=C(N)C=C1 N556 [2,0,0,0,0,0|2,0,0]=4 62 B10R0.65 C=CC(C)(O)C\C=C\C(=C)C 6764AD [0,1,1,0,0,0|1,0,1]=4 63 B10R1.1 CC1=CC=C(CC=O)C=C1 U064 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.1 CCOC1=NC=C(C)N=C1 0448AC [1,1,0,0,0,0|1,0,1]=4 65 B10R1.1 CNCC1=CC=C(Cl)N=C1 0994AD [1,1,0,0,0,0|1,0,1]=4 66 B10R1.1 COCC1=CN=C(Cl)C=C1 Z2539 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.3 CCC1=CC=C(CCl)C=C1 O299 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.3 COC1=CC=C(NN)C=N1 8106AA [1,1,0,0,0,0|2,0,0]=4 69 B10R1.3 COC1=CN=C(CBr)C=C1 0719AB [1,1,0,0,0,0|1,0,0]=3 70 B10R1.25 CC1=CC=C(C#N)C(F)=N1 N315 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.25 COC1=CC=C(C)N=C1F Y3820 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.25 COC1=CN=C(F)C=C1C Y3908 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.25 CSC1=CC=C(Cl)N=C1Cl Z1280 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.25 CSC1=CC=C(F)N=C1C Y3810 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.25 O=CC1=CN=C(Cl)C=C1O 3514AJ [1,1,0,0,0,0|2,0,0]=4 76 B10R1.176 C=CC1=CC=C(O)C(O)=C1 9031AB [1,1,0,0,0,0|2,0,0]=4 77 B10R1.176 CCC1=C[N+]([O-])=C(C)C=C1 1981AC [1,1,0,0,0,0|0,0,2]=4 78 B10R1.176 COC1=CC(C)=C(C)C=C1 6400AB [1,1,0,0,0,0|2,0,0]=4 79 B10R1.176 COC1=CN=C(F)C(C)=C1 Y3921 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.176 COC1=C[N+]([O-])=C(C)C=C1 Z3601 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.176 CSC1=CC=C(C)C(O)=C1 Y3611 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.15 C=C=C(C)C1=NC=CC=C1 9561AF [1,1,0,0,0,0|2,0,0]=4 83 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [1,1,0,0,0,0|2,0,0]=4 84 B10R1.15 CSC(=N)C1=CC=CN=C1 0332AD [1,1,0,0,0,0|1,0,0]=3 85 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.15 O[C@@H](CCl)C1=CC=CN=C1 8986AA [1,1,0,0,0,0|1,0,1]=4 87 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [1,1,0,0,0,0|2,0,0]=4 90 B10R1.31 CSC1=NC=C(C(C)=O)N1 9375AH [0,1,0,0,1,0|2,0,0]=4 91 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 9222AE [0,1,0,0,1,0|2,0,0]=4 92 B12R1.4 CC(=O)NC1=CC=C(CCl)C=C1 7961AB [0,1,0,0,0,1|2,0,0]=4 93 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 8794AJ [0,1,0,0,0,1|2,0,0]=4 94 B12R1.4 COC1=CC=C(NC(C)=S)C=C1 Z3283 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.49 CC1=CC=C(SC(=O)CCl)C=C1 3816AL [0,1,0,0,0,1|2,0,0]=4 96 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 Y6376 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 9848AL [0,2,0,0,0,0|1,0,0]=3 98 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 1770AL [0,2,0,0,0,0|2,0,0]=4 99 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 8207AA [0,2,0,0,0,0|2,0,0]=4 100 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C Z0137 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.113 CC(=O)C1=CC=C(CCN)C=C1 3370AB [0,2,0,0,0,0|2,0,0]=4 102 B12R1.452 COC1=CC=C(C(C)=O)C(N)=C1 9388AH [0,2,0,0,0,0|2,0,0]=4 103 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1N Y9468 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.893 CC(=O)C1=CC=C(C)C(C)=C1N Y7597 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.1000 CC1=CC(C)=NC(N)=C1C(=O)O 8335AC [0,2,0,0,0,0|2,0,0]=4 106 B12R2.9 COC1=NC=C(C2CC2)C=C1 Y3607 [0,1,0,1,0,0|0,0,2]=4 107 B8R1.7 CC(=O)C1=CC=NN1 9154AA [1,0,0,0,1,0|2,0,0]=4