0 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,0,0,0,0,0|0,1,0]=1 2 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.15 NC1=CC=CC=C1CO DB03058 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.15 SCC1=CC=CC=C1I DB03630 [1,0,0,0,0,0|1,1,1]=4 9 B11R1.159 NC(=O)C1=CC=CC(O)=C1O DB04476 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.159 NC1=C(O)C=CC=C1C(=O)O DB03644 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 DB01672 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.159 [C@H]1(O)C=CC=C(C(=O)O)[C@@H]1N DB02124 [0,1,0,0,0,0|1,0,2]=4 13 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=C1 DB04110 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.222 O=C(NO)C1=CC=CC=C1O DB03819 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.41 O=C(O)C1=CON=C1O DB02111 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.41 O=C(O)C1=NON=C1O DB02401 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.41 O=C(O)C1=NSN=C1O DB03162 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|1,0,1]=4 20 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|1,0,1]=4 21 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.5 NC1=CC=CC=C1F DB02403 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.5 NC1=CC=CC=C1O DB01726 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.5 OC1=CC=CC=C1Br DB04586 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.5 OC1=CC=CC=C1Cl DB03110 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.5 OC1=CC=CC=C1O DB02232 [2,0,0,0,0,0|0,0,0]=2 27 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [1,1,0,0,0,0|0,0,0]=2 28 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [1,1,0,0,0,0|0,0,0]=2 29 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [1,1,0,0,0,0|0,0,0]=2 31 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.2 OCC1=CC=CC(F)=C1F DB04312 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 DB08327 [0,1,0,0,0,1|0,0,0]=2 41 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O DB02746 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O DB01796 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.128 O=S(=O)(O)C1=C(O)C=CC(O)=C1 DB13529 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.511 O=C(O)C1=C(O)C(I)=CC(I)=C1 DB04674 [0,2,0,0,0,0|0,0,0]=2 45 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1O DB04598 [0,2,0,0,0,0|1,0,0]=3 46 B10R1.66 O=C(O)\C=C\C1=CNC=N1 DB01971 [0,0,1,1,0,0|2,0,0]=4 47 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,1]=4 48 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|2,0,0]=4 49 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [1,0,0,1,0,0|1,0,0]=3 50 B12R2.24 O=C1C=CC2=CC=CC=C2N1 DB04745 [0,0,0,1,0,1|2,0,0]=4 51 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [0,0,0,1,0,1|2,0,0]=4 52 B12R2.18 O=C1NC2=CC=CC=C2C1=O DB02095 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [1,0,0,0,1,0|1,0,0]=3 54 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [1,0,0,0,1,0|2,0,0]=4 55 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O DB01650 [0,0,0,0,0,2|0,0,0]=2