0 B8R1.2 NCC1=NC=CN=C1 B050555 [0,1,0,0,0,0|3,0,0]=4 1 B8R1.3 BrC1=CC=C(I)C=N1 B050029 [0,1,0,0,0,0|2,0,0]=3 2 B8R1.3 CC1=CN=C(O)N=C1 B038992 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.3 CC1=CN=C(S)N=C1 B016326 [0,1,0,0,0,0|2,1,0]=4 4 B8R1.3 CC1=CN=C(S)N=C1 B029371 [0,1,0,0,0,0|2,1,0]=4 5 B8R1.3 ClC1=CC=C(Br)C=N1 B050028 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.3 ClC1=CC=C(I)C=N1 B050030 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.4 BrC1=CC(I)=CC=N1 B050026 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.4 BrC1=CC=NC(Br)=C1 B050031 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.4 ClC1=CC=NC(Cl)=C1 B050033 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.4 FC1=CC=NC(Cl)=C1 B050032 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [0,1,0,0,0,0|2,0,0]=3 13 B6R1.2 BrC1=CNN=C1 B001462 [0,0,0,0,1,0|3,0,0]=4 14 B6R1.2 BrC1=CSN=C1 B049126 [0,0,0,0,1,0|3,0,0]=4 15 B6R1.2 BrC1=NNC=C1 B050964 [0,0,0,0,1,0|3,0,0]=4 16 B6R1.2 CC1=CNN=C1 B014452 [0,0,0,0,1,0|3,0,0]=4 17 B6R1.2 CC1=NNC=C1 B022230 [0,0,0,0,1,0|3,0,0]=4 18 B6R1.2 CN1C=CC=N1 B006761 [0,0,0,0,1,0|3,0,0]=4 19 B6R1.2 CN1C=CN=C1 B039756 [0,0,0,0,1,0|3,0,0]=4 20 B6R1.2 ClC1=CNN=C1 B001464 [0,0,0,0,1,0|3,0,0]=4 21 B6R1.2 FC1=CC=CS1 B039753 [0,0,0,0,1,0|2,0,0]=3 22 B6R1.2 IC1=CNN=C1 B037442 [0,0,0,0,1,0|3,0,0]=4 23 B6R1.2 IC1=NNC=C1 B050979 [0,0,0,0,1,0|3,0,0]=4 24 B6R1.2 NC1=CNN=C1 B035785 [0,0,0,0,1,0|3,0,0]=4 25 B6R1.2 NC1=CNN=C1 B035956 [0,0,0,0,1,0|3,0,0]=4 26 B6R1.2 NC1=NNC=C1 B007331 [0,0,0,0,1,0|3,0,0]=4 27 B6R1.2 NC1=NNC=C1 B037276 [0,0,0,0,1,0|3,0,0]=4 28 B7R1.1 OCC1=CNN=C1 B047363 [0,1,0,0,1,0|2,0,0]=4 29 B7R1.1 OCC1=NNC=C1 B047364 [0,1,0,0,1,0|2,0,0]=4 30 B7R1.2 FC1=CC=C(Br)S1 B052433 [0,1,0,0,1,0|2,0,0]=4 31 B7R1.2 FC1=CC=C(I)S1 B052477 [0,1,0,0,1,0|2,0,0]=4 32 B7R1.2 NC1=CC(O)=NN1 B038492 [0,1,0,0,1,0|2,0,0]=4 33 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [0,2,0,0,0,0|1,0,0]=3 34 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [0,2,0,0,0,0|0,0,0]=2 35 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [0,2,0,0,0,0|1,0,0]=3 36 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [0,2,0,0,0,0|2,0,0]=4 37 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,2,0,0,0,0|1,1,0]=4 38 B9R1.8 BrCCC1=NC=CC=C1 B050856 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.8 CNCC1=CC=CC=N1 B059678 [0,2,0,0,0,0|2,0,0]=4 40 B9R1.8 ClCCC1=NC=CC=C1 B050813 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.8 NOCC1=CC=CC=C1 B022277 [0,2,0,0,0,0|0,0,0]=2 42 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.15 COC1=CC=CN=C1O B039509 [0,2,0,0,0,0|1,0,0]=3 45 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [0,2,0,0,0,0|1,0,1]=4 46 B9R1.15 NC1=NC=CC=C1C=O B049085 [0,2,0,0,0,0|1,0,1]=4 47 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 B049974 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.69 CC1=C(O)N=CC(Br)=C1 B049976 [0,2,0,0,0,0|1,0,0]=3 49 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.69 CC1=NC(N)=CC=C1I B049349 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 B048629 [0,2,0,0,0,0|2,0,0]=4 53 B9R1.69 NC1=CC(Br)=C(F)C=C1 B049228 [0,2,0,0,0,0|1,0,0]=3 54 B9R1.69 NC1=CC(N)=C(N)C=C1 B050159 [0,2,0,0,0,0|1,0,0]=3 55 B9R1.3 NC1=CC=CC(N)=C1N B050139 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.3 [O-][N+]1=CC=CC(F)=C1Cl B049975 [0,2,0,0,0,0|1,0,1]=4 57 B9R1.34 CC1=CC(O)=CC(=O)O1 B048736 [0,2,0,0,0,0|1,0,0]=3