0 B8R1.5 CC1=NNC=NC1=S 188932 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.5 CN1C=CC=NC1=S 099218 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 BrC1=NC=NC=C1 080310 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.3 N[N+]1=NC=CC=C1 102270 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.3 CC1=C(Br)C=CC=C1S 061645 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.3 CC1=C(C)C(Br)=NC=C1 335456 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.3 CC1=C(C)C(N)=NC=C1 208701 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.3 CC1=C(I)C(Br)=CC=C1 038624 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.3 CC1=CC=CC(S)=C1Br 061615 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.3 FC1=C(Br)C=CN=C1Cl 069663 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.3 FC1=C(I)C(Cl)=NC=C1 069653 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.3 FC1=NC=CC(Br)=C1F 069642 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.15 CCC1=C(F)C=CC=C1 037698 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.15 NCC1=CC=CC=C1Cl 209763 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.69 CC1=C(S)C=CC(Br)=C1 037981 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.69 CC1=C(S)C=CC(F)=C1 023130 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=CC=C(C)C(N)=N1 032657 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.69 CC1=CC=C(S)C=C1F 023072 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.69 CC1=CC=[N+](C)C=C1C 032583 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.69 CC1=NC(Br)=CN=C1N 076383 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.69 CC1=[N+](C)C=C(O)C=C1 181609 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.69 NC1=NC=C(Br)C=C1F 077452 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.4 CC1=NN=CN1N 044059 [0,0,0,0,1,0|3,0,0]=4 23 B7R1.4 CN1C=NN=C1N 324197 [0,0,0,0,1,0|3,0,0]=4 24 B7R1.4 NC1=NNC=C1Cl 030482 [0,0,0,0,1,0|3,0,0]=4 25 B6R1.1 C1=CC=[NH+]C=C1 180458 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.3 BrC1=CN=C(I)C=N1 038569 [1,1,0,0,0,0|1,0,0]=3 27 B8R1.3 CC1=CN=C(O)C=N1 077046 [1,1,0,0,0,0|0,0,0]=2 28 B8R1.3 CC1=NC=C(O)C=N1 077095 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.4 C[N+]1=CC(Cl)=NC=C1 181726 [1,1,0,0,0,0|1,0,1]=4 30 B8R1.4 NC1=NC(Br)=CN=C1 076762 [1,1,0,0,0,0|1,0,0]=3 31 B8R1.18 CC1=CC(=O)NN1C 180024 [0,1,0,0,1,0|1,0,1]=4 32 B8R1.18 CN1N=C(Br)N=C1Br 067539 [0,1,0,0,1,0|2,0,0]=4 33 B8R1.50 CC1=NNC(C)=C1N 030286 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.2 CC1=C(F)C=CC=C1CBr 342591 [0,2,0,0,0,0|2,0,0]=4 35 B10R1.119 CC1=C(Cl)C=CC(Br)=C1C 037665 [0,2,0,0,0,0|2,0,0]=4 36 B10R1.245 COC1=C(I)C=CC=C1C 038816 [0,2,0,0,0,0|2,0,0]=4 37 B10R1.20 CCC1=CC=CC=C1CBr 246564 [0,2,0,0,0,0|2,0,0]=4 38 B10R1.25 COC1=CC=C(S)C=C1C 038027 [0,2,0,0,0,0|2,0,0]=4 39 B10R1.30 CC1=C(CO)C=C(Br)C=C1 403122 [0,2,0,0,0,0|2,0,0]=4 40 B10R1.30 COC1=NC(Cl)=CN=C1N 076801 [0,2,0,0,0,0|1,0,0]=3 41 B10R1.30 CSC1=CC(C)=NN=C1C 189294 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.61 FC(F)C1=C(Cl)N=CC=C1 050444 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.61 FC1=CC=CN=C1C(F)F 099827 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.118 CC1=C(C)C=C(O)C(N)=C1 025073 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.118 CC1=CC(Cl)=C(Br)C=C1C 043083 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.118 CC1=CC(Cl)=C(I)C=C1C 043082 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.176 CC1=CC=C(C#N)N=C1C 075590 [0,2,0,0,0,0|1,0,0]=3