0 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D07293 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.61 O=C(O)C1=C(S)C=CC=C1 D08586 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.61 O=C(O)C1=CC=CC=C1O D00097 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.61 O=C(O)C1=CC=CC=C1O D08501 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00566 [0,0,0,0,0,0|0,0,1]=1 6 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00810 [0,0,0,0,0,0|0,0,1]=1 7 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D05788 [0,0,0,0,0,0|0,0,1]=1 8 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07694 [0,0,0,0,0,0|0,0,1]=1 9 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07824 [0,0,0,0,0,0|0,0,1]=1 10 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D00971 [0,0,0,0,0,0|0,1,1]=2 11 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 NC(=O)C1=CN=CC=N1 D00144 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [1,0,0,0,0,0|0,0,1]=2 16 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [1,0,0,0,0,0|0,0,1]=2 17 B9R1.15 COC1=CC=CC=C1O D00117 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.15 OC1=CC=CC=C1[Hg]Cl D04932 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.15 OCC1=CC=CC=C1O D05790 [1,0,0,0,0,0|0,0,1]=2 20 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 D01039 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 D00162 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 D00875 [0,1,0,0,0,0|0,0,1]=2 23 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D01643 [0,1,0,0,0,0|0,0,2]=3 24 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D03368 [0,1,0,0,0,0|0,0,2]=3 25 B11R1.167 NC(=O)C1=NC(F)=CN=C1O D09537 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 D00377 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.222 COC(=O)C1=CC=CC=C1O D01087 [0,1,0,0,0,0|0,0,0]=1 28 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|0,0,0]=2 29 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|0,0,1]=3 30 B8R1.2 OCC1=CC=CN=C1 D05158 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [1,1,0,0,0,0|0,0,0]=2 32 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [1,1,0,0,0,0|0,0,1]=3 33 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [1,1,0,0,0,0|0,0,1]=3 34 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.15 COC(=O)C1=CC=CN=C1 D04991 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.15 NNC(=O)C1=CC=NC=C1 D00346 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 D00469 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 D01572 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 D05590 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.20 O=CC1=CC=CC=C1C=O D03470 [1,1,0,0,0,0|0,0,1]=3 42 B12R1.283 CCOC1=CC=CC=C1C(N)=O D01466 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.128 O=S(=O)(O)C1=C(O)C=CC(O)=C1 D01282 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.128 O=S(=O)([O-])C1=C(O)C=CC(O)=C1 D07427 [0,2,0,0,0,0|1,0,1]=4 45 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,0,1,1,0,0|1,0,1]=4 46 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D07751 [0,0,0,1,0,1|2,0,0]=4 47 B12R2.612 O=C1NSC2=CC(Cl)=CC=C12 D06139 [0,1,0,1,0,0|1,1,0]=4 48 B8R1.7 O=C(O)C1=CC=CS1 D08568 [1,0,0,0,1,0|1,0,0]=3