0 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.2 NCC1=NC=CN=C1 B050555 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.3 BrC1=CC=C(I)C=N1 B050029 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.3 CC1=CN=C(O)N=C1 B038992 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.3 CC1=CN=C(S)N=C1 B016326 [1,0,0,0,0,0|2,1,0]=4 6 B8R1.3 CC1=CN=C(S)N=C1 B029371 [1,0,0,0,0,0|2,1,0]=4 7 B8R1.3 ClC1=CC=C(Br)C=N1 B050028 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.3 ClC1=CC=C(I)C=N1 B050030 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.3 N#CC1=CC=C(CCl)C=C1 B030136 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.1 CC1=CC(CO)=NO1 B037451 [0,0,0,0,1,0|3,0,0]=4 16 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,0,0,0,1,0|3,0,0]=4 17 B8R1.1 CC1=CN(CO)N=C1 B028555 [0,0,0,0,1,0|3,0,0]=4 18 B8R1.1 CC1=NOC(CO)=C1 B037452 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.1 CCC1=CC(Br)=CS1 B046186 [0,0,0,0,1,0|3,0,0]=4 20 B8R1.1 CN1C=C(CO)C=N1 B020730 [0,0,0,0,1,0|3,0,0]=4 21 B8R1.1 CN1C=CC(CO)=N1 B047329 [0,0,0,0,1,0|3,0,0]=4 22 B8R1.1 FC1=CC=C(CBr)S1 B058943 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.1 FC1=CC=C(CCl)S1 B052448 [0,0,0,0,1,0|3,0,0]=4 24 B8R1.1 NC1=NC(CO)=CS1 B050737 [0,0,0,0,1,0|3,0,0]=4 25 B8R1.1 NC1=NNC(CO)=C1 B047583 [0,0,0,0,1,0|3,0,0]=4 26 B8R1.1 NCC1=CC=C(F)S1 B052432 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.1 OCC1=CC=C(F)S1 B046290 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.1 OCN1C=C(Br)C=N1 B030041 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.1 OCN1C=C(Cl)C=N1 B022132 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.1 OCN1C=CC(Br)=N1 B062416 [0,0,0,0,1,0|3,0,0]=4 31 B8R1.1 OCN1C=CC(I)=N1 B062417 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,1,0,0,0,0|1,0,0]=3 33 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,1,0,0,0,0|0,0,0]=2 38 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.69 CC1=C(O)N=CC(Br)=C1 B049976 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.69 NC1=CC(Br)=C(F)C=C1 B049228 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.69 NC1=CC(N)=C(N)C=C1 B050159 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.35 CC(O)C1=CC=C(F)S1 B046192 [0,1,0,0,1,0|2,0,0]=4 46 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.1 NCCCC1=CC=C(Cl)C=C1 B049887 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.20 NC1=CC=C(OC(F)F)C=C1 B014415 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [0,2,0,0,0,0|1,0,1]=4 51 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 B030589 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.81 CCOC1=CC=C(F)C=C1N B047094 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 B049688 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.83 S=C=NC1=CC=C(CBr)C=C1 B039028 [0,2,0,0,0,0|1,1,0]=4 57 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B004285 [0,2,0,0,0,0|0,0,2]=4 63 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.14 O=CC1=CC(Br)=C(O)C(Br)=C1 B028935 [0,2,0,0,0,0|0,0,2]=4 68 B11R1.280 COC1=C(O)C=CC(C#N)=C1 B004154 [0,2,0,0,0,0|1,0,1]=4 69 B7R1.1 OCC1=CNN=C1 B047363 [1,0,0,0,1,0|2,0,0]=4 70 B7R1.1 OCC1=NNC=C1 B047364 [1,0,0,0,1,0|2,0,0]=4