0 B7R1.3 NC1=CC=NC=C1 D04127 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 OC1=CC=CC=C1 D00033 [0,0,0,0,0,0|0,1,0]=1 2 B7R1.3 OC1=CC=CC=C1 D06534 [0,0,0,0,0,0|0,1,0]=1 3 B7R1.3 [O-]C1=CC=CC=C1 D05455 [0,0,0,0,0,0|0,1,0]=1 4 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [0,1,0,0,0,0|0,1,0]=2 5 B8R1.2 OCC1=CC=CC=C1 D00077 [0,1,0,0,0,0|0,1,0]=2 6 B8R1.2 OCC1=CC=CN=C1 D05158 [0,1,0,0,0,0|1,1,0]=3 7 B8R1.3 OC1=CC=C(Cl)C=C1 D00149 [0,1,0,0,0,0|0,1,0]=2 8 B8R1.3 OC1=CC=C(O)C=C1 D00073 [0,1,0,0,0,0|0,1,0]=2 9 B8R1.4 CC1=CC(O)=CC=C1 D04951 [0,1,0,0,0,0|0,1,0]=2 10 B8R1.4 O=C1C=CNC(=O)N1 D00027 [0,1,0,0,0,0|2,1,0]=4 11 B8R1.4 O=C1C=CN[13C](=O)N1 D09776 [0,1,0,0,0,0|2,1,0]=4 12 B8R1.4 OC1=CC=CC(O)=C1 D00133 [0,1,0,0,0,0|0,1,0]=2 13 B8R1.5 NC1=CC=NC=C1N D10228 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.5 NC1=CC=NC=C1N D10689 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.5 [O-]N1C=CC=CC1=S D01938 [0,1,0,0,0,0|1,0,1]=3 16 B8R1.5 [O-]N1C=CC=CC1=S D05662 [0,1,0,0,0,0|1,0,1]=3 17 B6R1.2 CC1=CNN=C1 D00707 [0,0,0,0,1,0|3,0,0]=4 18 B6R1.2 NC1=NC=CS1 D02479 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.4 C\C=C\C=C\C(=O)O D05892 [0,1,1,0,0,0|1,1,0]=4 20 B7R0.4 C\C=C\C=C\C(=O)[O-] D02411 [0,1,1,0,0,0|1,1,0]=4 21 B9R1.1 COC1=CC=C(O)C=C1 D04926 [0,2,0,0,0,0|0,1,0]=3 22 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [0,2,0,0,0,0|1,1,0]=4 23 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [0,2,0,0,0,0|0,1,0]=3 24 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [0,2,0,0,0,0|1,1,0]=4 25 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [0,2,0,0,0,0|0,1,0]=3 26 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [0,2,0,0,0,0|0,1,0]=3 27 B9R1.8 OCCC1=CC=CC=C1 D00192 [0,2,0,0,0,0|0,1,0]=3 28 B9R1.15 COC1=CC=CC=C1O D00117 [0,2,0,0,0,0|0,1,0]=3 29 B9R1.15 OC1=CC=CC=C1[Hg]Cl D04932 [0,2,0,0,0,0|0,1,0]=3 30 B9R1.15 OCC1=CC=CC=C1O D05790 [0,2,0,0,0,0|0,1,0]=3 31 B9R1.69 CC1=C(Cl)C=CC(O)=C1 D03468 [0,2,0,0,0,0|0,1,0]=3 32 B9R1.69 O=C1C=C(O)C(Cl)=CN1 D01846 [0,2,0,0,0,0|1,1,0]=4 33 B9R1.3 CC1=C([O-])C(=O)C=CO1 D10833 [0,2,0,0,0,0|1,1,0]=4 34 B9R1.3 O=C1C(I)=CNC=C1I D04587 [0,2,0,0,0,0|1,1,0]=4 35 B9R1.34 OC1=CC(O)=CC(O)=C1 D00152 [0,2,0,0,0,0|0,1,0]=3