0 B9R1.6 CC(N)C1=CN=CC=C1 BB01-4888 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 N=C(N)C1=CC=CC=C1 BB01-6195 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 N#CC1=CC=CN=C1 BB01-6212 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.13 CC(=O)C1=CC=C(Br)C=N1 BB01-8350 [0,1,0,0,0,0|1,0,2]=4 4 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BB01-8314 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.15 NNC(=S)C1=CC=CC=C1 BB17-0201 [0,1,0,0,0,0|1,1,1]=4 6 B10R1.61 NC1=CC=CN=C1C(=O)O BB01-8355 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.61 NC1=NC=CC=C1C(=O)O BB17-0064 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.113 NC(=O)C1=CC(F)=CC=C1 BB17-0563 [0,1,0,0,0,0|1,0,2]=4 9 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB17-0500 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB01-8309 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 BB01-8307 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.7 CC(N)C1=CC=CO1 BB01-4826 [0,0,0,0,1,0|2,0,0]=3 13 B10R1.18 O=C(O)CC1=CC=CN=C1 BB01-8322 [0,0,0,0,0,1|2,0,1]=4 14 B7R1.3 OC1=CC=CN=C1 BB17-1816 [2,0,0,0,0,0|1,0,0]=3 15 B9R1.1 CC1=CC=C(NN)C=C1 BB17-0837 [1,1,0,0,0,0|2,0,0]=4 16 B9R1.1 COC1=NC=C(N)C=C1 BB01-8347 [1,1,0,0,0,0|2,0,0]=4 17 B9R1.1 N#CC1=CC=C(F)C=C1 BB01-6035 [1,1,0,0,0,0|1,0,1]=4 18 B9R1.1 O=CC1=CC=C(I)C=C1 BB17-1814 [1,1,0,0,0,0|0,0,2]=4 19 B9R1.2 CNC1=CC(Br)=CC=C1 BB01-3264 [1,1,0,0,0,0|1,0,0]=3 20 B9R1.2 CSC1=CC=CC(N)=C1 BB17-2811 [1,1,0,0,0,0|1,0,0]=3 21 B9R1.2 O=CC1=CC(I)=CC=C1 BB17-1813 [1,1,0,0,0,0|0,0,2]=4 22 B9R1.8 N#CCC1=CC=NC=C1 BB01-6120 [1,1,0,0,0,0|1,0,1]=4 23 B9R1.8 O=CCC1=CC=CC=C1 BB01-5910 [1,1,0,0,0,0|0,0,1]=3 24 B9R1.15 N#CC1=C(Cl)C=CC=C1 BB17-1794 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.86 CC(=O)NC1=CC=CC=C1O BB17-0735 [0,1,0,0,0,1|0,0,2]=4 26 B11R1.86 O=C(O)CC1=CC=CC=C1Cl BB01-6128 [0,1,0,0,0,1|1,0,1]=4 27 B11R1.3 CC(C)C1=CC=C(NN)C=C1 BB01-4642 [0,2,0,0,0,0|1,0,0]=3 28 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 BB17-2778 [0,2,0,0,0,0|1,0,1]=4 29 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 BB17-0869 [0,2,0,0,0,0|1,0,1]=4 30 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 BB01-8352 [0,2,0,0,0,0|1,0,1]=4 31 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 BB17-0579 [0,2,0,0,0,0|1,0,1]=4 32 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 BB17-0677 [0,2,0,0,0,0|1,0,1]=4 33 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 BB17-0868 [0,2,0,0,0,0|1,0,1]=4 34 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 BB17-0944 [0,2,0,0,0,0|1,0,1]=4 35 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 BB17-1915 [0,2,0,0,0,0|1,0,1]=4 36 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 BB01-8300 [0,2,0,0,0,0|1,0,1]=4 37 B11R1.23 COC(=O)C1=CC=CC(N)=C1 BB17-0320 [0,2,0,0,0,0|0,0,2]=4 38 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 BB17-2141 [0,2,0,0,0,0|0,0,2]=4 39 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 BB01-5022 [0,2,0,0,0,0|0,0,2]=4 40 B11R1.155 FC(F)(F)C1=CC=CC(S)=C1 BB17-1109 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB17-0631 [0,2,0,0,0,0|1,0,1]=4 42 B11R1.156 O=C(O)C1=C(F)C=CC=C1Cl BB17-1899 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.156 O=C(O)C1=C(F)C=CC=C1F BB01-8298 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br BB17-2779 [0,2,0,0,0,0|1,0,1]=4 45 B11R1.159 CC1=C(C(=O)O)C=CC=C1I BB17-2772 [0,2,0,0,0,0|1,0,1]=4 46 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BB17-0688 [0,2,0,0,0,0|1,0,1]=4 47 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 BB17-0943 [0,2,0,0,0,0|1,0,1]=4 48 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 BB17-0401 [0,2,0,0,0,0|1,0,1]=4 49 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 BB17-0400 [0,2,0,0,0,0|1,0,1]=4 50 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 BB17-0402 [0,2,0,0,0,0|1,0,1]=4 51 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 BB17-0458 [0,2,0,0,0,0|1,0,1]=4 52 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 BB01-8304 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 BB17-0459 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.266 CNC1=CC(C(C)C)=CC=C1 BB01-3266 [0,2,0,0,0,0|1,0,0]=3 55 B11R2.10 NC1CC2=CC=CC=C2C1 BB53-1264 [0,0,0,1,0,1|1,0,0]=3 56 B11R2.10 O=C1CC2=C(C=CC=C2)C1 BB01-8363 [0,0,0,1,0,1|0,0,2]=4 57 B7R1.1 OCC1=NC=CS1 BB17-2991 [1,0,0,0,1,0|2,0,0]=4