0 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [0,0,0,0,0,0|0,0,1]=1 7 B9R1.8 OCCC1=CC=CC=C1 D00192 [1,0,0,0,0,0|0,0,1]=2 8 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 D00217 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.20 CC(N)CC1=CC=C(O)C=C1 D04473 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07627 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07628 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D01224 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D08368 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 D00856 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 D02393 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.157 C[C@H](N)CC1=CC(O)=CC=C1 D07150 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05458 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05459 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 D00857 [0,1,0,0,0,0|3,0,0]=4 23 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D00826 [0,0,0,1,0,0|2,0,1]=4 24 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D08625 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.6 NC(=O)C1=CN=CC=N1 D00144 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [0,0,0,0,1,0|0,0,0]=1 28 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [0,0,0,0,1,0|1,0,0]=2 29 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [0,0,0,0,1,0|0,0,1]=2 30 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [0,0,0,0,1,0|0,0,1]=2 31 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 D05464 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.91 O=[N+]([O-])O[Hg]C1=CC=CC=C1 D05465 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 D07209 [0,0,0,0,0,1|2,0,1]=4 34 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|0,0,0]=2 35 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|0,0,0]=2 36 B8R1.2 OCC1=CC=CN=C1 D05158 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.17 NNCCC1=CC=CC=C1 D00505 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.17 NNCCC1=CC=CC=C1 D08349 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.17 OCCOC1=CC=CC=C1 D08359 [1,1,0,0,0,0|0,0,1]=3 41 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [0,1,0,0,1,0|0,0,0]=2 42 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [0,1,0,0,1,0|0,0,1]=3 43 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [0,1,0,0,1,0|0,0,1]=3 44 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [0,1,0,0,1,0|1,0,0]=3 45 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D07293 [0,1,0,0,1,0|0,0,0]=2 46 B10R1.61 O=C(O)C1=C(S)C=CC=C1 D08586 [0,1,0,0,1,0|0,0,0]=2 47 B10R1.61 O=C(O)C1=CC=CC=C1O D00097 [0,1,0,0,1,0|0,0,0]=2 48 B10R1.61 O=C(O)C1=CC=CC=C1O D08501 [0,1,0,0,1,0|0,0,0]=2 49 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00566 [0,1,0,0,1,0|0,0,1]=3 50 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00810 [0,1,0,0,1,0|0,0,1]=3 51 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D05788 [0,1,0,0,1,0|0,0,1]=3 52 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07694 [0,1,0,0,1,0|0,0,1]=3 53 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07824 [0,1,0,0,1,0|0,0,1]=3 54 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D00971 [0,1,0,0,1,0|0,0,1]=3 55 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D00021 [0,1,0,0,0,1|0,0,0]=2 56 B12R1.226 N=C(N)NCC1=CC(I)=CC=C1 D04559 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.226 N=C(N)NCC1=CC(I)=CC=C1 D04560 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.226 N=C(N)NCC1=CC([123I])=CC=C1 D01729 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.226 N=C(N)NCC1=CC=CC([131I])=C1 D03308 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 D05292 [0,2,0,0,0,0|0,0,0]=2 61 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D07751 [0,0,0,1,0,1|0,0,1]=3 62 B12R2.606 O=C1OC2=CC(O)=CC=C2S1 D07211 [0,1,0,1,0,0|1,0,0]=3 63 B12R2.606 OC1=NC2=C(C=CC(Cl)=C2)O1 D00771 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.7 O=C(O)C1=CC=CS1 D08568 [0,0,0,0,2,0|1,0,0]=3 65 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 D05868 [0,0,0,0,0,2|0,0,1]=3