0 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,0,0|0,0,2]=3 3 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,1,0,0,0,0|1,0,1]=3 15 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.11 CC[C@@H](C)C1=NC=CS1 DB03087 [0,0,0,0,1,0|3,0,0]=4 17 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,0,0,0,0,1|1,0,0]=2 18 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,0,0,0,0,1|1,0,0]=2 20 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|1,0,0]=3 21 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|1,0,0]=3 22 B8R1.2 SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|1,1,0]=4 23 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|0,0,2]=4 34 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,1,0,0,0,0|0,0,2]=4 36 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|0,0,2]=4 40 B12R1.32 CCS\C(N)=N\C1=CC=CC=C1 DB03707 [0,1,0,0,0,1|1,0,1]=4 41 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,1,0,0,0,1|1,0,0]=3 42 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,1,0,0,0,1|1,0,1]=4 44 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 DB07381 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.3 [C@H](CC)(NC=O)C1=CC=CC=C1 DB07436 [0,2,0,0,0,0|0,0,1]=3 46 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.20 [C@@H](O)(C(=O)O)C1=CC=C(O)C=C1 DB07896 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.225 [C@H](C)(C1=CC(O)=CC=C1)N(C)C DB04556 [0,2,0,0,0,0|2,0,0]=4 49 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|0,0,0]=2