0 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.6 NC(=O)C1=CN=CC=N1 D00144 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [1,0,0,0,0,0|0,0,1]=2 5 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [1,0,0,0,0,0|0,0,1]=2 6 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 D07190 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D01405 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D08286 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 D00055 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 D08298 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 D00377 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 D02393 [0,0,0,0,0,1|1,0,0]=2 13 B11R1.157 C[C@H](N)CC1=CC(O)=CC=C1 D07150 [0,0,0,0,0,1|2,0,1]=4 14 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|0,0,0]=2 15 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|0,0,1]=3 16 B8R1.2 OCC1=CC=CN=C1 D05158 [2,0,0,0,0,0|1,0,1]=4 17 B8R1.4 CC1=CC(O)=CC=C1 D04951 [2,0,0,0,0,0|0,0,1]=3 18 B8R1.4 OC1=CC=CC(O)=C1 D00133 [2,0,0,0,0,0|0,0,0]=2 19 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [1,1,0,0,0,0|0,0,0]=2 20 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [1,1,0,0,0,0|0,0,1]=3 21 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [1,1,0,0,0,0|0,0,1]=3 22 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.15 COC(=O)C1=CC=CN=C1 D04991 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.15 NNC(=O)C1=CC=NC=C1 D00346 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [1,1,0,0,0,0|0,0,0]=2 26 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D07293 [1,1,0,0,0,0|0,0,0]=2 28 B10R1.61 O=C(O)C1=C(S)C=CC=C1 D08586 [1,1,0,0,0,0|0,0,0]=2 29 B10R1.61 O=C(O)C1=CC=CC=C1O D00097 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.61 O=C(O)C1=CC=CC=C1O D08501 [1,1,0,0,0,0|0,0,0]=2 31 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00566 [1,1,0,0,0,0|0,0,1]=3 32 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00810 [1,1,0,0,0,0|0,0,1]=3 33 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D05788 [1,1,0,0,0,0|0,0,1]=3 34 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07694 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07824 [1,1,0,0,0,0|0,0,1]=3 36 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D00971 [1,1,0,0,0,0|0,0,1]=3 37 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 D09794 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D00076 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D05206 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D08284 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.17 CCOC(=O)C1=CC=CC([NH3+])=C1 D08632 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 D08366 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D00511 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08365 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08966 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.128 O=S(=O)(O)C1=C(O)C=CC(O)=C1 D01282 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.128 O=S(=O)([O-])C1=C(O)C=CC(O)=C1 D07427 [0,2,0,0,0,0|1,0,1]=4 48 B12R2.606 O=C1OC2=CC(O)=CC=C2S1 D07211 [0,0,0,1,0,1|0,1,0]=3 49 B12R2.606 OC1=NC2=C(C=CC(Cl)=C2)O1 D00771 [0,0,0,1,0,1|1,0,1]=4 50 B8R1.7 O=C(O)C1=CC=CS1 D08568 [1,0,0,0,1,0|1,0,0]=3 51 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [1,0,0,0,0,1|0,0,0]=2 52 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [1,0,0,0,0,1|0,0,1]=3