0 B9R1.6 CC(N)C1=CN=CC=C1 BB01-4888 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 N=C(N)C1=CC=CC=C1 BB01-6195 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 N#CC1=CC=CN=C1 BB01-6212 [1,0,0,0,0,0|0,0,2]=3 3 B8R1.2 N#CC1=CN=CC=N1 BB01-8308 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.13 CC(=O)C1=CC=C(Br)C=N1 BB01-8350 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.13 CC1=CN=C(C(=O)O)C=N1 BB01-8333 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BB01-8314 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.15 NNC(=S)C1=CC=CC=C1 BB17-0201 [0,1,0,0,0,0|1,1,0]=3 8 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 BB01-0983 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.61 NC1=CC=CN=C1C(=O)O BB01-8355 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.61 NC1=NC=CC=C1C(=O)O BB17-0064 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 BB01-8365 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.113 NC(=O)C1=CC(F)=CC=C1 BB17-0563 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 BB17-0501 [0,1,0,0,0,0|0,0,0]=1 14 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB17-0500 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB01-8309 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 BB01-8307 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.7 CC(N)C1=CC=CO1 BB01-4826 [0,0,0,0,1,0|2,0,1]=4 18 B8R1.7 O=C(O)C1=CSC=N1 BB01-8351 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.7 O=[N+]([O-])C1=CC=CS1 BB17-0786 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.18 O=C(O)CC1=CC=CN=C1 BB01-8322 [0,0,0,0,0,1|1,0,0]=2 21 B7R1.3 BrC1=CN=CN=C1 BB01-8281 [2,0,0,0,0,0|2,0,0]=4 22 B7R1.3 NC1=NC=CN=C1 BB01-6194 [2,0,0,0,0,0|1,0,0]=3 23 B7R1.3 OC1=CC=CN=C1 BB17-1816 [2,0,0,0,0,0|0,0,1]=3 24 B9R1.1 CC1=CC=C(NN)C=C1 BB17-0837 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.1 O=CC1=CC=C(I)C=C1 BB17-1814 [1,1,0,0,0,0|1,0,0]=3 26 B9R1.2 CC1=CC=CC(C=O)=N1 BB17-1884 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.2 O=CC1=CC(I)=CC=C1 BB17-1813 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.8 O=CCC1=CC=CC=C1 BB01-5910 [1,1,0,0,0,0|1,0,0]=3 29 B9R1.15 O=CC1=C(F)C=NC=C1 BB01-8337 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.35 CC(=O)C1=CC=C(C)S1 BB17-2349 [0,1,0,0,1,0|2,0,0]=4 31 B9R1.35 CC(=O)C1=CC=C(Cl)S1 BB17-2354 [0,1,0,0,1,0|2,0,0]=4 32 B9R1.41 CC1=C(C(=O)O)OC=N1 BB01-8336 [0,1,0,0,1,0|2,0,0]=4 33 B9R1.41 NC(=O)C1=C(N)NC=N1 BB01-8343 [0,1,0,0,1,0|1,0,0]=3 34 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 BB17-2723 [0,1,0,0,0,1|1,1,0]=4 35 B11R1.40 O=C(CCl)NC1=CC=CN=C1 BB20-1606 [0,1,0,0,0,1|1,0,0]=3 36 B11R1.86 CC(=O)NC1=CC=CC=C1O BB17-0735 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 BB17-0702 [0,1,0,0,0,1|1,1,0]=4 38 B11R1.86 NC(=S)NC1=C(O)C=CC=C1 BB17-0365 [0,1,0,0,0,1|1,1,0]=4 39 B11R1.86 O=C(O)CC1=CC=CC=C1Cl BB01-6128 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.157 NC(=S)NC1=CC(O)=CC=C1 BB17-0996 [0,1,0,0,0,1|1,1,0]=4 41 B11R1.3 COC1=CC=C(C(N)=S)C=C1 BB17-0865 [0,2,0,0,0,0|1,1,0]=4 42 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 BB17-2778 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 BB17-0869 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 BB01-8352 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1N BB01-8376 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 BB17-0579 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 BB17-0677 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 BB17-0868 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 BB01-8372 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 BB17-2386 [0,2,0,0,0,0|0,0,0]=2 51 B11R1.22 NNC(=O)C1=CN=C(Cl)C=C1 BB17-2987 [0,2,0,0,0,0|0,0,0]=2 52 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 BB17-0944 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 BB17-1915 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.166 NC1=NC(Cl)=CC=C1[N+](=O)[O-] BB17-0561 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 BB01-8300 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.7 NNS(=O)(=O)C1=CC=CC=C1 BB17-1121 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.23 COC(=O)C1=CC=CC(N)=C1 BB17-0320 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.23 NNC(=O)C1=CC(Br)=NC=C1 BB17-2221 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 BB01-4965 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 BB17-1115 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 BB17-2141 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.222 COC(=O)C1=NC=CN=C1N BB01-8312 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 BB01-5022 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB17-0631 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.156 CC1=CC=NC(O)=C1[N+](=O)[O-] BB01-8330 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.156 O=C(O)C1=C(F)C=CC=C1Cl BB17-1899 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.156 O=C(O)C1=C(F)C=CC=C1F BB01-8298 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br BB17-2779 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.159 CC1=C(C(=O)O)C=CC=C1I BB17-2772 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BB17-0688 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 BB17-0943 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.167 NC(=O)C1=C(N)C=CC(Cl)=C1 BB01-8295 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 BB17-0401 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 BB17-0400 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 BB17-0402 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 BB17-0458 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 BB01-8304 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 BB17-0459 [0,2,0,0,0,0|2,0,0]=4 79 B11R2.10 ClC1=NC2=CC=CC=C2N1 BB01-8305 [0,0,0,1,0,1|2,0,0]=4 80 B11R2.10 O=C1CC2=C(C=CC=C2)C1 BB01-8363 [0,0,0,1,0,1|2,0,0]=4 81 B11R1.91 N=C(N)NCC1=CC=CC=C1 BB53-1255 [0,0,0,0,0,2|2,0,0]=4