0 B9R1.6 CN(C)C1=CN=CC=N1 D02929 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 NC(=O)C1=CN=CC=N1 D00144 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.2 OCC1=CC=CN=C1 D05158 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.15 COC(=O)C1=CC=CN=C1 D04991 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D07293 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.61 O=C(O)C1=C(S)C=CC=C1 D08586 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.61 O=C(O)C1=CC=CC=C1O D00097 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.61 O=C(O)C1=CC=CC=C1O D08501 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00566 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00810 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D05788 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07694 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07824 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D00971 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.7 O=C(O)C1=CC=CS1 D08568 [0,0,0,0,1,0|2,0,0]=3 26 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [0,0,0,0,0,1|3,0,0]=4 28 B7R0.4 C\C=C\C=C\C(=O)O D05892 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.4 C\C=C\C=C\C(=O)[O-] D02411 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 D00217 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 D02393 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 D07190 [0,2,0,0,0,0|1,0,1]=4 33 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.22 COC(=O)C1=CC=C(O)C=C1 D01400 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 D02458 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.16 CCOC(=O)C1=CC=CN=C1 D08274 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.16 O=C(NCO)C1=CN=CC=C1 D08051 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.222 COC(=O)C1=CC=CC=C1O D01087 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.167 NC(=O)C1=NC(F)=CN=C1O D09537 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 D05464 [0,0,0,0,0,2|2,0,0]=4