0 B8R1.2 NCC1=CC=CC=C1 DB02464 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 OCC1=CC=CC=C1 DB06770 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.2 OCC1=CC=CN=C1 DB04145 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.2 SCC1=CC=CN=C1 DB04490 [0,0,0,0,0,0|1,1,0]=2 4 B7R1.3 CC1=CC=CC=C1 DB11558 [1,0,0,0,0,0|0,0,0]=1 5 B7R1.3 CC1=CC=CC=N1 DB04874 [1,0,0,0,0,0|1,0,0]=2 6 B7R1.3 CC1=CC=CN=C1 DB01996 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.3 IC1=CC=CC=C1 DB02252 [1,0,0,0,0,0|1,0,0]=2 8 B7R1.3 N=C1C=CNC=C1 DB06637 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.3 NC1=CC=CC=C1 DB06728 [1,0,0,0,0,0|1,0,0]=2 10 B7R1.3 OC1=CC=CC=C1 DB03255 [1,0,0,0,0,0|0,0,0]=1 11 B7R1.3 SC1=CC=CC=N1 DB03329 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.1 COC1=CC=C(O)C=C1 DB09516 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [0,1,0,0,0,0|0,0,2]=3 14 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [0,1,0,0,0,0|0,0,2]=3 18 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [0,1,0,0,0,0|0,0,0]=1 19 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,1,0,0,0,0|1,0,1]=3 21 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [0,1,0,0,0,0|0,0,1]=2 22 B9R1.6 O=C(O)C1=CN=CC=C1 DB00627 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.6 O=C([O-])C1=CC=CC=N1 DB11175 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.8 NCCC1=CC=CC=C1 DB04325 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [0,1,0,0,0,0|0,0,1]=2 28 B9R1.8 OCCC1=CC=CC=C1 DB02192 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.15 COC1=C(O)C=CC=C1 DB11359 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.15 NC1=CC=CC=C1CO DB03058 [0,1,0,0,0,0|0,0,0]=1 31 B9R1.15 SCC1=CC=CC=C1I DB03630 [0,1,0,0,0,0|0,1,0]=2 32 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [1,1,0,0,0,0|0,0,0]=2 33 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [1,1,0,0,0,0|1,0,0]=3 34 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [1,1,0,0,0,0|0,0,0]=2 35 B8R1.3 OC1=CC=C(Cl)C=C1 DB13154 [1,1,0,0,0,0|0,0,0]=2 36 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [1,1,0,0,0,0|0,0,0]=2 37 B8R1.3 OC1=CC=C(O)C=C1 DB09526 [1,1,0,0,0,0|0,0,0]=2 38 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [1,1,0,0,0,0|0,0,0]=2 39 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [1,1,0,0,0,0|0,0,0]=2 40 B8R1.4 OC1=CC=CC(O)=C1 DB11085 [1,1,0,0,0,0|0,0,0]=2 41 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [1,1,0,0,0,0|1,0,0]=3 42 B8R1.5 N=C1C=CNC=C1N DB11640 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.5 NC1=CC=CC=C1F DB02403 [1,1,0,0,0,0|1,0,0]=3 44 B8R1.5 NC1=CC=CC=C1O DB01726 [1,1,0,0,0,0|0,0,0]=2 45 B8R1.5 OC1=CC=CC=C1Br DB04586 [1,1,0,0,0,0|0,0,0]=2 46 B8R1.5 OC1=CC=CC=C1Cl DB03110 [1,1,0,0,0,0|0,0,0]=2 47 B8R1.5 OC1=CC=CC=C1O DB02232 [1,1,0,0,0,0|0,0,0]=2 48 B8R1.5 [O-][N+]1=C(S)C=CC=C1 DB06815 [1,1,0,0,0,0|1,0,1]=4 49 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [0,1,0,0,1,0|1,0,1]=4 50 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [0,2,0,0,0,0|1,0,0]=3 51 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [0,2,0,0,0,0|0,0,0]=2 52 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,2,0,0,0,0|0,0,1]=3 54 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,2,0,0,0,0|0,0,1]=3 55 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,2,0,0,0,0|0,0,1]=3 56 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,2,0,0,0,0|0,0,1]=3 57 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,2,0,0,0,0|1,0,1]=4 58 B10R1.25 CC1=NC=C(CO)C(N)=N1 DB02022 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 DB13269 [0,2,0,0,0,0|0,0,0]=2 60 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [0,2,0,0,0,0|0,0,0]=2 61 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [0,2,0,0,0,0|1,0,0]=3 62 B10R1.176 O=CC1=CC=C(O)C(O)=C1 DB11268 [0,2,0,0,0,0|0,0,2]=4 63 B10R1.2 OCC1=CC=CC(F)=C1F DB04312 [0,2,0,0,0,0|0,0,0]=2 64 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [0,2,0,0,0,0|1,0,0]=3 65 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [0,2,0,0,0,0|0,0,1]=3 66 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.15 COC(=O)C1=CN=CC=C1 DB13882 [0,2,0,0,0,0|1,0,1]=4 68 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,2,0,0,0,0|0,0,0]=2 69 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,2,0,0,0,0|0,0,1]=3 70 B10R1.61 NC(=O)C1=CC=CC=C1O DB08797 [0,2,0,0,0,0|0,0,2]=4 71 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,2,0,0,0,0|0,0,1]=3 72 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,2,0,0,0,0|0,0,1]=3 73 B10R1.61 O=C(O)C1=CC=CC=C1O DB00936 [0,2,0,0,0,0|0,0,1]=3 74 B10R1.61 O=C(O)C1=CC=CC=C1O DB11079 [0,2,0,0,0,0|0,0,1]=3 75 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01397 [0,2,0,0,0,0|0,0,2]=4 76 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01401 [0,2,0,0,0,0|0,0,2]=4 77 B10R1.61 O=C([O-])C1=CC=CC=C1O DB14006 [0,2,0,0,0,0|0,0,2]=4 78 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.4 CCCC1=CC=CC=C1N DB02970 [0,2,0,0,0,0|1,0,0]=3 80 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 DB00733 [0,2,0,0,0,0|1,0,1]=4 81 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.17 CNCCC1=CC=CC=N1 DB06698 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [0,2,0,0,0,0|0,0,1]=3 86 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [0,2,0,0,0,0|0,0,0]=2 87 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [0,2,0,0,0,0|0,0,2]=4 88 B10R1.17 OCCOC1=CC=CC=C1 DB11304 [0,2,0,0,0,0|0,0,0]=2 89 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [0,2,0,0,0,0|0,0,0]=2 90 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [0,2,0,0,0,0|0,1,1]=4 93 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [0,2,0,0,0,0|0,0,0]=2 94 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [0,1,0,1,0,0|0,0,0]=2 95 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [0,1,0,1,0,0|1,0,1]=4 96 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [0,1,0,1,0,0|0,0,1]=3 97 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [0,1,0,1,0,0|1,0,1]=4 98 B6R1.2 CC1=CN=CN1 DB03385 [1,0,0,0,1,0|2,0,0]=4 99 B6R1.2 CC1=CNC=C1 DB01932 [1,0,0,0,1,0|1,0,0]=3 100 B6R1.2 CC1=CNN=C1 DB01213 [1,0,0,0,1,0|2,0,0]=4 101 B6R1.2 CN1C=C[NH+]=C1 DB02671 [1,0,0,0,1,0|2,0,0]=4