0 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [0,0,0,0,0,0|1,1,1]=3 1 B8R1.2 OCC1=CC=CC=C1 D00077 [0,0,0,0,0,0|1,1,0]=2 2 B8R1.2 OCC1=CC=CN=C1 D05158 [0,0,0,0,0,0|2,1,0]=3 3 B7R1.3 NC1=CC=NC=C1 D04127 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.3 OC1=CC=CC=C1 D00033 [1,0,0,0,0,0|1,1,0]=3 5 B7R1.3 OC1=CC=CC=C1 D06534 [1,0,0,0,0,0|1,1,0]=3 6 B7R1.3 [O-]C1=CC=CC=C1 D05455 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.1 COC1=CC=C(O)C=C1 D04926 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.6 CN(C)C1=CN=CC=N1 D02929 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.6 NC(=O)C1=CN=CC=N1 D00144 [0,1,0,0,0,0|1,1,1]=4 10 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [0,1,0,0,0,0|1,1,1]=4 11 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [0,1,0,0,0,0|1,1,1]=4 12 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [0,1,0,0,0,0|1,1,1]=4 13 B9R1.8 OCCC1=CC=CC=C1 D00192 [0,1,0,0,0,0|1,1,0]=3 14 B9R1.15 COC1=CC=CC=C1O D00117 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.15 OC1=CC=CC=C1[Hg]Cl D04932 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.15 OCC1=CC=CC=C1O D05790 [0,1,0,0,0,0|1,1,0]=3 17 B8R1.3 OC1=CC=C(Cl)C=C1 D00149 [1,1,0,0,0,0|1,1,0]=4 18 B8R1.3 OC1=CC=C(O)C=C1 D00073 [1,1,0,0,0,0|1,1,0]=4 19 B8R1.4 CC1=CC(O)=CC=C1 D04951 [1,1,0,0,0,0|1,0,0]=3 20 B8R1.4 OC1=CC=CC(O)=C1 D00133 [1,1,0,0,0,0|1,1,0]=4 21 B8R1.5 [O-]N1C=CC=CC1=S D01938 [1,1,0,0,0,0|0,0,2]=4 22 B8R1.5 [O-]N1C=CC=CC1=S D05662 [1,1,0,0,0,0|0,0,2]=4 23 B8R1.8 NCCC1=CNC=N1 D04444 [0,1,0,0,1,0|2,0,0]=4 24 B8R1.8 NCCC1=CNC=N1 D04445 [0,1,0,0,1,0|2,0,0]=4 25 B8R1.8 NCCC1=CNC=N1 D08040 [0,1,0,0,1,0|2,0,0]=4 26 B8R1.8 NCCC1=NNC=C1 D01187 [0,1,0,0,1,0|2,0,0]=4 27 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [0,2,0,0,0,0|1,1,0]=4 28 B10R1.17 CNCCC1=NC=CC=C1 D01592 [0,2,0,0,0,0|1,0,0]=3 29 B10R1.17 CNCCC1=NC=CC=C1 D03102 [0,2,0,0,0,0|1,0,0]=3 30 B10R1.17 CNCCC1=NC=CC=C1 D07522 [0,2,0,0,0,0|1,0,0]=3 31 B10R1.17 NNCCC1=CC=CC=C1 D00505 [0,2,0,0,0,0|2,0,0]=4 32 B10R1.17 NNCCC1=CC=CC=C1 D08349 [0,2,0,0,0,0|2,0,0]=4 33 B10R1.17 OCCOC1=CC=CC=C1 D08359 [0,2,0,0,0,0|1,1,0]=4 34 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [0,2,0,0,0,0|2,0,0]=4 35 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [0,2,0,0,0,0|2,0,0]=4 36 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [0,2,0,0,0,0|2,0,0]=4 37 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [0,2,0,0,0,0|2,0,0]=4 38 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [0,2,0,0,0,0|2,0,0]=4 39 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,2,0,0,0,0|1,1,0]=4 40 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [0,2,0,0,0,0|1,1,0]=4 41 B6R1.2 CC1=CNN=C1 D00707 [1,0,0,0,1,0|2,0,0]=4 42 B6R1.2 NC1=NC=CS1 D02479 [1,0,0,0,1,0|2,0,0]=4