0 B8R1.2 NCC1=CC=CC=C1 DB02464 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 OCC1=CC=CN=C1 DB04145 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.2 SCC1=CC=CN=C1 DB04490 [0,0,0,0,0,0|1,1,0]=2 3 B7R1.3 CC1=CC=CN=C1 DB01996 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.3 IC1=CC=CC=C1 DB02252 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.3 NC1=CC=CC=C1 DB06728 [1,0,0,0,0,0|1,0,0]=2 6 B7R1.3 OC1=CC=CC=C1 DB03255 [1,0,0,0,0,0|0,0,0]=1 7 B7R1.3 SC1=CC=CC=N1 DB03329 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [0,1,0,0,0,0|0,0,2]=3 9 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [0,1,0,0,0,0|0,0,2]=3 13 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [0,1,0,0,0,0|0,0,0]=1 14 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.8 NCCC1=CC=CC=C1 DB04325 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [0,1,0,0,0,0|0,0,1]=2 19 B9R1.8 OCCC1=CC=CC=C1 DB02192 [0,1,0,0,0,0|0,0,0]=1 20 B9R1.15 NC1=CC=CC=C1CO DB03058 [0,1,0,0,0,0|0,0,0]=1 21 B9R1.15 SCC1=CC=CC=C1I DB03630 [0,1,0,0,0,0|0,1,0]=2 22 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [1,1,0,0,0,0|0,0,0]=2 23 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [1,1,0,0,0,0|1,0,0]=3 24 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [1,1,0,0,0,0|0,0,0]=2 25 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [1,1,0,0,0,0|0,0,0]=2 26 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [1,1,0,0,0,0|0,0,0]=2 27 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [1,1,0,0,0,0|0,0,0]=2 28 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [1,1,0,0,0,0|1,0,0]=3 29 B8R1.5 NC1=CC=CC=C1F DB02403 [1,1,0,0,0,0|1,0,0]=3 30 B8R1.5 NC1=CC=CC=C1O DB01726 [1,1,0,0,0,0|0,0,0]=2 31 B8R1.5 OC1=CC=CC=C1Br DB04586 [1,1,0,0,0,0|0,0,0]=2 32 B8R1.5 OC1=CC=CC=C1Cl DB03110 [1,1,0,0,0,0|0,0,0]=2 33 B8R1.5 OC1=CC=CC=C1O DB02232 [1,1,0,0,0,0|0,0,0]=2 34 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [0,1,0,0,1,0|1,0,1]=4 35 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [0,2,0,0,0,0|0,0,0]=2 36 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,2,0,0,0,0|0,0,1]=3 38 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,2,0,0,0,0|0,0,1]=3 39 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,2,0,0,0,0|0,0,1]=3 40 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,2,0,0,0,0|0,0,1]=3 41 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,2,0,0,0,0|1,0,1]=4 42 B10R1.25 CC1=NC=C(CO)C(N)=N1 DB02022 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [0,2,0,0,0,0|0,0,0]=2 44 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.2 OCC1=CC=CC(F)=C1F DB04312 [0,2,0,0,0,0|0,0,0]=2 46 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [0,2,0,0,0,0|1,0,0]=3 47 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [0,2,0,0,0,0|0,0,1]=3 48 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,2,0,0,0,0|0,0,0]=2 49 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,2,0,0,0,0|0,0,1]=3 50 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,2,0,0,0,0|0,0,1]=3 51 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,2,0,0,0,0|0,0,1]=3 52 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.4 CCCC1=CC=CC=C1N DB02970 [0,2,0,0,0,0|1,0,0]=3 54 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [0,2,0,0,0,0|1,0,0]=3 55 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [0,2,0,0,0,0|1,0,0]=3 56 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [0,2,0,0,0,0|0,0,1]=3 57 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [0,2,0,0,0,0|0,0,0]=2 58 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [0,2,0,0,0,0|0,0,2]=4 59 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [0,2,0,0,0,0|0,0,0]=2 60 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [0,2,0,0,0,0|0,1,1]=4 61 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [0,1,0,1,0,0|0,0,0]=2 62 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [0,1,0,1,0,0|1,0,1]=4 63 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [0,1,0,1,0,0|0,0,1]=3 64 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [0,1,0,1,0,0|1,0,1]=4 65 B6R1.2 CC1=CN=CN1 DB03385 [1,0,0,0,1,0|2,0,0]=4 66 B6R1.2 CC1=CNC=C1 DB01932 [1,0,0,0,1,0|1,0,0]=3 67 B6R1.2 CN1C=C[NH+]=C1 DB02671 [1,0,0,0,1,0|2,0,0]=4