0 B9R1.8 OCCC1=CC=CC=C1 D00192 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [1,0,0,0,0,0|1,0,1]=3 2 B8R1.2 OCC1=CC=CC=C1 D00077 [1,0,0,0,0,0|1,0,0]=2 3 B8R1.2 OCC1=CC=CN=C1 D05158 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [0,1,0,0,0,0|1,0,0]=2 5 B10R1.15 NNC(=O)C1=CC=NC=C1 D00346 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.17 CNCCC1=NC=CC=C1 D01592 [0,1,0,0,0,0|1,0,0]=2 8 B10R1.17 CNCCC1=NC=CC=C1 D03102 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.17 CNCCC1=NC=CC=C1 D07522 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.17 NNCCC1=CC=CC=C1 D00505 [0,1,0,0,0,0|0,0,0]=1 11 B10R1.17 NNCCC1=CC=CC=C1 D08349 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.17 OCCOC1=CC=CC=C1 D08359 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [0,1,0,0,0,0|0,0,0]=1 14 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [0,1,0,0,0,0|0,0,0]=1 15 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [0,1,0,0,0,0|0,0,0]=1 16 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [0,1,0,0,0,0|0,0,0]=1 18 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [0,1,0,0,0,0|1,0,1]=3 20 B8R1.8 NCCC1=CNC=N1 D04444 [0,0,0,0,1,0|2,0,0]=3 21 B8R1.8 NCCC1=CNC=N1 D04445 [0,0,0,0,1,0|2,0,0]=3 22 B8R1.8 NCCC1=CNC=N1 D08040 [0,0,0,0,1,0|2,0,0]=3 23 B8R1.8 NCCC1=NNC=C1 D01187 [0,0,0,0,1,0|2,0,0]=3 24 B7R1.3 NC1=CC=NC=C1 D04127 [2,0,0,0,0,0|1,0,0]=3 25 B7R1.3 OC1=CC=CC=C1 D00033 [2,0,0,0,0,0|1,0,0]=3 26 B7R1.3 OC1=CC=CC=C1 D06534 [2,0,0,0,0,0|1,0,0]=3 27 B7R1.3 [O-]C1=CC=CC=C1 D05455 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.1 COC1=CC=C(O)C=C1 D04926 [1,1,0,0,0,0|1,0,0]=3 29 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [1,1,0,0,0,0|1,0,1]=4 30 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [1,1,0,0,0,0|1,0,1]=4 32 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.15 COC1=CC=CC=C1O D00117 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.15 OC1=CC=CC=C1[Hg]Cl D04932 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.15 OCC1=CC=CC=C1O D05790 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.20 CC(N)CC1=CC=C(O)C=C1 D04473 [0,2,0,0,0,0|0,0,0]=2 37 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.22 NCC(O)C1=CC=C(O)C=C1 D00178 [0,2,0,0,0,0|0,0,0]=2 39 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D00633 [0,2,0,0,0,0|0,0,0]=2 40 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D07870 [0,2,0,0,0,0|0,0,0]=2 41 B11R1.192 NOCC1=CC(O)=C(Br)C=C1 D03158 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D01405 [0,2,0,0,0,0|0,0,0]=2 43 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D08286 [0,2,0,0,0,0|0,0,0]=2 44 B11R1.157 C[C@H](N)CC1=CC(O)=CC=C1 D07150 [0,2,0,0,0,0|0,0,0]=2 45 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07627 [0,2,0,0,0,0|0,0,0]=2 46 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07628 [0,2,0,0,0,0|0,0,0]=2 47 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D01224 [0,2,0,0,0,0|0,0,0]=2 48 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D08368 [0,2,0,0,0,0|0,0,0]=2 49 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 D00856 [0,2,0,0,0,0|1,0,1]=4 50 B11R1.28 OCCSCC1=CC=NC=C1 D05737 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [0,2,0,0,0,0|0,0,0]=2 52 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [0,2,0,0,0,0|0,0,0]=2 53 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [0,2,0,0,0,0|0,0,0]=2 54 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05458 [0,2,0,0,0,0|0,0,0]=2 55 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05459 [0,2,0,0,0,0|0,0,0]=2 56 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 D00857 [0,2,0,0,0,0|2,0,0]=4 57 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D00826 [0,1,0,1,0,0|0,0,0]=2 58 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D08625 [0,1,0,1,0,0|0,0,0]=2