0 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.15 NNC(=O)C1=CC=NC=C1 DB00951 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 DB00397 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 DB01560 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,1,0,0,0,0|2,0,1]=4 21 B11R2.4 NC1CC1C2=CC=CC=C2 DB00752 [0,0,0,1,0,0|0,0,0]=1 22 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [0,0,0,1,0,0|0,0,1]=2 23 B9R1.11 CC[C@@H](C)C1=NC=CS1 DB03087 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.40 CC(CC1=CC=CC=C1)NN DB09250 [0,0,0,0,0,1|1,0,0]=2 25 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 DB01577 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 DB09571 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,0,0,0,0,1|2,0,1]=4 29 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,0,0,0,0,1|2,0,0]=3 31 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|0,0,0]=2 32 B8R1.2 OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.61 NC(=O)C1=CC=CC=C1O DB08797 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.17 CNCCC1=CC=CC=N1 DB06698 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.17 OCCOC1=CC=CC=C1 DB11304 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.32 C#CCN(C)CC1=CC=CC=C1 DB01626 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 DB00852 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 DB01364 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,1,0,0,0,1|1,0,1]=4 58 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 DB01365 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.10 CC[N+](C)(C)C1=CC(O)=CC=C1 DB01010 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 DB07381 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.3 [C@H](CC)(NC=O)C1=CC=CC=C1 DB07436 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 DB00388 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 DB00368 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 DB00610 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.225 [C@H](C)(C1=CC(O)=CC=C1)N(C)C DB04556 [0,2,0,0,0,0|2,0,0]=4 69 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,0]=3 70 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|0,0,2]=4 71 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,1,0,0|1,0,1]=4 72 B12R2.1 OCC1=CNC2=CC=CC=C12 DB12881 [0,1,0,1,0,0|0,0,2]=4 73 B8R1.8 NCCC1=CC=NN1 DB00272 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.8 NCCC1=CNC=N1 DB05381 [1,0,0,0,1,0|2,0,0]=4 75 B12R1.27 NNC(C)COC1=CC=CC=C1 DB09251 [0,0,0,0,0,2|1,0,0]=3