0 B11R1.280 COC1=C(O)C=CC(C#N)=C1 B004154 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 B050664 [0,1,0,0,0,0|3,0,0]=4 3 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 B004190 [0,1,0,0,0,0|1,0,1]=3 4 B12R1.286 COC1=C(O)C=CC(\C=N\O)=C1 B004150 [0,1,0,0,0,0|0,0,1]=2 5 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 B004166 [0,1,0,0,0,0|1,0,1]=3 6 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 B004161 [0,1,0,0,0,0|0,0,2]=3 7 B12R1.300 COC1=C(O)C(Cl)=CC(C#N)=C1 B004160 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 B004155 [0,1,0,0,0,0|0,0,2]=3 9 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 B004184 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 B004179 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 B004167 [0,1,0,0,0,0|0,0,2]=3 12 B12R2.44 NCC1=CC2=C(C=C1)OCO2 B019914 [0,0,0,1,0,0|1,0,0]=2 13 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [2,0,0,0,0,0|2,0,0]=4 14 B9R1.15 COC1=CC=CN=C1O B039509 [2,0,0,0,0,0|1,0,0]=3 15 B9R1.69 CC1=C(O)N=CC(Br)=C1 B049976 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.266 COC1=CC(C(C)N)=CC=C1 B006176 [1,1,0,0,0,0|1,0,0]=3 21 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [1,1,0,0,0,0|1,0,1]=4 24 B13R1.3091 COC1=C(OC)C=C(C(C)N)C=C1 B039340 [0,2,0,0,0,0|1,0,0]=3 25 B13R1.3091 COC1=CC=C(C(C)N)C=C1OC B006175 [0,2,0,0,0,0|1,0,0]=3 26 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 B004408 [0,2,0,0,0,0|0,0,2]=4 27 B13R1.355 COCC1=CC(C=O)=CC=C1OC B000424 [0,2,0,0,0,0|0,0,2]=4 28 B13R1.434 COC1=C(OC)C(Br)=CC(C=O)=C1 B004803 [0,2,0,0,0,0|0,0,2]=4 29 B13R1.434 COC1=C(OC)C(I)=CC(C=O)=C1 B005529 [0,2,0,0,0,0|0,0,2]=4 30 B13R1.434 COC1=CC(C=O)=CC(Cl)=C1OC B004629 [0,2,0,0,0,0|0,0,2]=4 31 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC B028863 [0,2,0,0,0,0|0,0,2]=4 32 B13R1.2200 COC1=C(OC)C=C(C=O)C(Br)=C1 B005109 [0,2,0,0,0,0|0,0,2]=4 33 B13R1.2200 COC1=CC(N)=C(C#N)C=C1OC B049316 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.2900 CCOC1=C(O)C=C(Br)C(C#N)=C1 B004207 [0,2,0,0,0,0|1,0,1]=4 35 B13R1.2900 CCOC1=C(O)C=C(Br)C(C=O)=C1 B004202 [0,2,0,0,0,0|0,0,2]=4 36 B13R1.3981 CCOC1=C(O)C(Br)=CC(C#N)=C1 B004201 [0,2,0,0,0,0|1,0,1]=4 37 B13R1.3981 CCOC1=C(O)C(Cl)=CC(C=O)=C1 B004191 [0,2,0,0,0,0|0,0,2]=4 38 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O B000259 [0,2,0,0,0,0|0,0,2]=4 39 B13R1.4030 COC1=C(O)C(Br)=CC(\C=N\O)=C1 B004162 [0,2,0,0,0,0|0,0,1]=3 40 B13R1.425 COC1=C(O)C(Br)=C(Br)C(C#N)=C1 B004178 [0,2,0,0,0,0|1,0,1]=4 41 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 B014647 [0,1,0,1,0,0|1,0,0]=3 42 B13R2.2121 OCC1=CC=C2OC(S)=NC2=C1 B039568 [0,1,0,1,0,0|1,0,1]=4 43 B13R2.599 COC1=CC2=C(C=C1N)OCO2 B050408 [0,1,0,1,0,0|1,0,0]=3 44 B13R2.599 N#CC1=C(N)C=C2OCOC2=C1 B049242 [0,1,0,1,0,0|1,0,1]=4