0 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.1 COC1=CC=C(O)C=C1 DB09516 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 NC(=O)C1=NC=CN=C1 DB00339 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.6 O=C(O)C1=CN=CC=C1 DB00627 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 O=C([O-])C1=CC=CC=N1 DB11175 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.3 COC1=CC=C(C(=O)O)C=C1 DB02795 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.3 COC1=CC=C([SH](=O)=O)C=C1 DB03033 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.3 N=C(N)C1=CC=C(CO)C=C1 DB02585 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.3 O=C(O)C1=CC=C([Hg]O)C=C1 DB01671 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 DB03120 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 DB00259 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 DB03006 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=C1 DB01784 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.19 O=S(=O)(O)C1=CC=C([Hg])C=C1 DB02983 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 DB03610 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 DB09055 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 DB03407 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 DB00233 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 DB00316 [0,0,0,0,0,1|1,0,0]=2 37 B11R1.20 CC(N)CC1=CC=C(O)C=C1 DB09352 [0,0,0,0,0,1|2,0,1]=4 38 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|1,0,1]=4 39 B8R1.2 OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|0,0,1]=3 40 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|1,0,1]=4 41 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [2,0,0,0,0,0|0,0,1]=3 42 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.3 OC1=CC=C(Cl)C=C1 DB13154 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.3 OC1=CC=C(O)C=C1 DB09526 [2,0,0,0,0,0|0,0,0]=2 47 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 DB13269 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.176 O=CC1=CC=C(O)C(O)=C1 DB11268 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.15 COC(=O)C1=CN=CC=C1 DB13882 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.15 NNC(=O)C1=CC=NC=C1 DB00951 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.61 NC(=O)C1=CC=CC=C1O DB08797 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [1,1,0,0,0,0|0,0,0]=2 59 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.61 O=C(O)C1=CC=CC=C1O DB00936 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.61 O=C(O)C1=CC=CC=C1O DB11079 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01397 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01401 [1,1,0,0,0,0|0,0,1]=3 64 B10R1.61 O=C([O-])C1=CC=CC=C1O DB14006 [1,1,0,0,0,0|0,0,1]=3 65 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 DB11710 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [1,1,0,0,0,0|0,0,0]=2 69 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 DB08767 [0,1,0,0,0,1|1,0,0]=3 70 B12R1.4 N=C(N)NC1=CC=C(CO)C=C1 DB06900 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,1,0,0,0,1|0,0,0]=2 72 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DB02601 [0,1,0,0,0,1|0,0,0]=2 73 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 DB04291 [0,1,0,0,0,1|0,0,0]=2 74 B12R1.20 [C@@H](O)(C(=O)O)C1=CC=C(O)C=C1 DB07896 [0,1,0,0,0,1|0,0,0]=2 75 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(O)C=C1 DB04308 [0,1,0,0,0,1|0,0,0]=2 76 B12R1.49 N=C(NO)NC1=CC=C(Cl)C=C1 DB04559 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,1,0,0,0,1|1,0,1]=4 78 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 DB08748 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 DB03140 [0,2,0,0,0,0|0,0,0]=2 80 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 DB12618 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.56 COC1=CC(C(=O)[O-])=CC=C1O DB02130 [0,2,0,0,0,0|0,0,1]=3 82 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 DB00368 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.367 O=C(NO)C1=CC(O)=C(O)C=C1 DB12948 [0,2,0,0,0,0|0,0,0]=2 84 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1O DB04598 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 DB01086 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,2,0,0,0,0|1,0,1]=4 87 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.606 N=C1NC2=C(C=C(O)C=C2)N1 DB03729 [0,0,0,1,0,1|2,0,0]=4 89 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 DB00356 [0,0,0,1,0,1|2,0,0]=4 90 B8R0.23 C\C(=C\C(=O)O)C(=O)O DB04734 [0,0,1,0,1,0|1,0,1]=4 91 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [1,0,0,0,1,0|1,0,0]=3 92 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [1,0,0,0,1,0|2,0,0]=4 93 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,0,0,0,0,1|1,1,0]=4 94 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [1,0,0,0,0,1|0,0,0]=2 95 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,0,0,0,0,2|1,0,0]=3 96 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,0,0,0,0,2|1,0,0]=3 97 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,0,0,0,0,2|0,0,0]=2 98 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [0,0,0,0,0,2|0,0,0]=2