0 B9R1.8 NCCC1=CC=CC=C1 DB04325 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.8 OCCC1=CC=CC=C1 DB02192 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.2 NCC1=CC=CC=C1 DB02464 [1,0,0,0,0,0|0,0,0]=1 4 B8R1.2 OCC1=CC=CN=C1 DB04145 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.2 SCC1=CC=CN=C1 DB04490 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.4 CCCC1=CC=CC=C1N DB02970 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,1,0,0,0,0|0,0,2]=3 10 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [0,1,0,0,0,0|0,0,0]=1 13 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [0,1,0,0,0,0|1,0,2]=4 16 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [0,1,0,0,0,0|1,0,1]=3 18 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [0,0,0,1,0,0|1,0,0]=2 19 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [0,0,0,1,0,0|0,0,2]=3 20 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [0,0,0,1,0,0|1,0,2]=4 21 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [0,0,0,1,0,0|1,0,1]=3 22 B7R1.3 CC1=CC=CN=C1 DB01996 [2,0,0,0,0,0|1,0,0]=3 23 B7R1.3 IC1=CC=CC=C1 DB02252 [2,0,0,0,0,0|1,0,0]=3 24 B7R1.3 NC1=CC=CC=C1 DB06728 [2,0,0,0,0,0|0,0,0]=2 25 B7R1.3 OC1=CC=CC=C1 DB03255 [2,0,0,0,0,0|1,0,0]=3 26 B7R1.3 SC1=CC=CC=N1 DB03329 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [1,1,0,0,0,0|1,0,0]=3 29 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,1,0,0,0,0|0,0,1]=3 30 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,1,0,0,0,0|0,0,1]=3 32 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,1,0,0,0,0|0,0,0]=2 33 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,1,0,0,0,0|0,0,1]=3 34 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.15 NC1=CC=CC=C1CO DB03058 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.15 SCC1=CC=CC=C1I DB03630 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.1 OCCOC1=CC=C(Cl)C=C1 DB11368 [0,2,0,0,0,0|1,0,0]=3 39 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,2,0,0,0,0|0,0,2]=4 40 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 DB03301 [0,2,0,0,0,0|1,0,1]=4 41 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [0,2,0,0,0,0|0,0,0]=2 43 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,2,0,0,0,0|1,0,1]=4 45 B11R1.28 NCCCCC1=CC=CC=C1 DB04311 [0,2,0,0,0,0|0,0,0]=2 46 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,2,0,0,0,0|0,0,0]=2 47 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,2,0,0,0,0|1,0,1]=4 48 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,2,0,0,0,0|0,0,0]=2 49 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 DB03297 [0,2,0,0,0,0|2,0,0]=4 53 B11R2.36 CC1=CC2=C(C=C1)N=CN2 DB03177 [0,1,0,1,0,0|1,0,1]=4 54 B11R2.10 NC1N=C2C=CC=CC2=N1 DB01665 [0,1,0,1,0,0|1,0,0]=3 55 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [0,1,0,1,0,0|0,0,1]=3