0 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 a09436 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.61 O=C(O)C1=C(O)C=CC=C1 e00882 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 m07340 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.6 NC(=S)C1=NC=CC=C1 a01427 [1,0,0,0,0,0|1,1,0]=3 6 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.53 COC1=C(C(C)N)C=CC=C1 a01826 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.53 COC1=C(C(N)=O)C=CC=C1 e00137 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.159 CC1=C(N)C=CC=C1[N+](=O)[O-] c07360 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.166 CC(N)C1=C(F)C=C(F)C=C1 c07386 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 c08848 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 e00679 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.166 O=C(O)C1=CN=C(O)N=C1O c07224 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.167 NC(=O)C1=C(O)C=CC(Cl)=C1 c07352 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 e00950 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.167 NC1=CC=C(Cl)C=C1[N+](=O)[O-] e00777 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 m08174 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.222 CNC(=O)C1=CC=CC=C1N c01847 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 c06007 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 a03954 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.222 NNC(=O)C1=CC=CC=C1N c05360 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 c07584 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 a03955 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.86 CC(=O)NC1=CC=CC=C1Cl a03950 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.86 CC(=O)NC1=CC=CC=C1O e01100 [0,0,0,0,0,1|1,0,0]=2 27 B11R1.86 CN(C)CC1=C(O)C=CC=C1 c02807 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.13 CC(N)C1=CC=C(O)C=C1 c07375 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 c08153 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [1,1,0,0,0,0|0,0,0]=2 32 B10R1.15 NNC(=O)C1=CC=NC=C1 c08623 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.113 CC(N)C1=CC(O)=CC=C1 c07637 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.113 CC1=CC=CC(C(=O)O)=N1 c08168 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.113 NC(=O)C1=CC(N)=CC=C1 c06082 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 c04283 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 c04965 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.4 O\N=C\C1=CC=CC=C1O c04922 [1,1,0,0,0,0|0,0,1]=3 39 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 c07575 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.149 CC1=C(C(=O)NN)C=CO1 m08181 [0,1,0,0,1,0|2,0,0]=4 41 B12R1.75 COC1=C(NC(N)=S)C=CC=C1 c07759 [0,1,0,0,0,1|0,1,0]=3 42 B12R1.75 COC1=CC=CC=C1NC(C)=O a09114 [0,1,0,0,0,1|1,0,0]=3 43 B12R1.127 CC(=O)NC1=CC(N)=CC=C1C c07681 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.233 CC(=O)NC1=C(C)C=C(C)C=C1 c07196 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.371 CCC(=O)NC1=C(O)C=CC=C1 c00859 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.371 O=C(CBr)NC1=CC=CC=C1F c03259 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.1009 CC(=O)NC1=C(Cl)C=CC=C1Cl c07847 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.46 COC1=C(C(N)=O)C=C(Cl)C=C1 c07332 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.46 COC1=CC=C(Br)C=C1C(=O)O c07309 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.77 COC1=CC=CC=C1C(=O)NN a06405 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O c08611 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 c07317 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.283 CCOC1=CC=CC=C1C(=O)O c00586 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.283 O=CNC1=C(C(=O)O)C=CC=C1 c07220 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(=O)N1 e01080 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.1000 CC1=NC(O)=CC(C)=C1C(N)=O e01150 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O c01366 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O c07302 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.308 CCNC(=O)C1=C(Cl)C=CC=C1 c03926 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.308 CCNC(=O)C1=CC=CC=C1N c07571 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.66 NC(=O)\C=C\C1=CC=CO1 a02822 [0,0,1,1,0,0|0,0,0]=2 62 B10R1.66 O=C(O)\C=C\C1=CC=CO1 a00387 [0,0,1,1,0,0|1,0,0]=3 63 B10R1.66 O=C(O)\C=C\C1=CC=CS1 a03813 [0,0,1,1,0,0|1,1,0]=4 64 B12R2.24 O=C1C=CC2=CC=CC=C2O1 c07899 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 m08825 [0,1,0,1,0,0|1,0,1]=4 66 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 c08607 [0,1,0,1,0,0|1,0,1]=4 67 B12R1.125 CC(=O)NCC1=C(Cl)C=CC=C1 e00298 [0,0,0,0,0,2|2,0,0]=4 68 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 c02600 [0,0,0,0,0,2|2,0,0]=4 69 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 a01169 [0,0,0,0,0,2|1,0,0]=3 70 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 c07702 [0,0,0,0,0,2|1,0,0]=3 71 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 c04893 [0,0,0,0,0,2|2,0,0]=4 72 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 a08309 [0,0,0,0,0,2|2,0,0]=4 73 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl a05299 [0,0,0,0,0,2|2,0,0]=4