0 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 B049974 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1=C(O)N=CC(Br)=C1 B049976 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 CC1=NC(N)=CC=C1I B049349 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 B048629 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 NC1=CC(Br)=C(F)C=C1 B049228 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 NC1=CC(N)=C(N)C=C1 B050159 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.3 BrC1=CC=C(I)C=N1 B050029 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.3 CC1=CN=C(O)N=C1 B038992 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.3 CC1=CN=C(S)N=C1 B016326 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.3 CC1=CN=C(S)N=C1 B029371 [1,0,0,0,0,0|2,1,0]=4 12 B8R1.3 ClC1=CC=C(Br)C=N1 B050028 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.3 ClC1=CC=C(I)C=N1 B050030 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.4 BrC1=CC(I)=CC=N1 B050026 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.4 BrC1=CC=NC(Br)=C1 B050031 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 ClC1=CC=NC(Cl)=C1 B050033 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.4 FC1=CC=NC(Cl)=C1 B050032 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.22 CC1=C(O)C=C(O)C=C1O B049970 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.22 CC1=CC(=O)N(N)C(C)=C1 B016034 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.22 CC1=CC(Br)=CC(C)=C1N B048771 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.22 CC1=CC(C)=C(N)C(=O)N1 B048546 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.22 CC1=CC(C)=NC(Cl)=C1N B050629 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.18 CC1=C(C)NC(=S)N1 B050652 [0,0,0,0,1,0|2,1,0]=4 27 B8R1.18 CC1=CC(Br)=NN1C B050946 [0,0,0,0,1,0|3,0,0]=4 28 B8R1.18 CC1=CC(Cl)=NN1C B058980 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.18 CC1=CC(I)=NN1C B050965 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.18 CC1=CC(N)=NN1C B020972 [0,0,0,0,1,0|3,0,0]=4 31 B8R1.18 CC1=CC(N)=NN1C B039190 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.18 CC1=CC(N)=NN1C B047156 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.50 CC1=C(Br)C=NN1C B040737 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.50 CC1=C(Br)N=CN1C B058548 [0,0,0,0,1,0|3,0,0]=4 35 B8R1.50 CC1=C(Cl)C=NN1C B040736 [0,0,0,0,1,0|3,0,0]=4 36 B8R1.50 CC1=C(Cl)N=CN1C B058541 [0,0,0,0,1,0|3,0,0]=4 37 B8R1.50 CC1=C(I)C=NN1C B047729 [0,0,0,0,1,0|3,0,0]=4 38 B8R1.50 CC1=C(I)N=CN1C B058554 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.50 CC1=C(N)C=NN1C B006424 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.50 CC1=C(N)C=NN1C B018560 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|1,0,0]=3 42 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|0,0,0]=2 43 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.3 NC1=CC=CC(N)=C1N B050139 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.34 CC1=CC(O)=CC(=O)O1 B048736 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.15 COC1=CC=CN=C1O B039509 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.132 CC1=C(CO)C=NN1C B000980 [0,1,0,0,1,0|2,0,0]=4 50 B9R1.132 CC1=CC=C(CN)N1C B049048 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.132 CC1=CN=C(CO)N1C B052645 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 B050863 [0,2,0,0,0,0|1,0,0]=3 53 B11R1.37 COC1=CC=C(Br)C=C1C#N B005860 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.37 COC1=CC=C(Br)C=C1C=O B005855 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.81 CCOC1=CC=C(F)C=C1N B047094 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 B049688 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.166 CN(C)C1=CC=C(Br)C=C1N B039646 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B004285 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.280 COC1=C(O)C=CC(C#N)=C1 B004154 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [0,2,0,0,0,0|2,0,0]=4