0 B9R1.35 CC(=O)C1=CC=C(C)S1 BB17-2349 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC(=O)C1=CC=C(Cl)S1 BB17-2354 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.1 CC1=CC=C(C=O)S1 BB17-2278 [1,0,0,0,0,0|1,0,0]=2 3 B8R1.1 O=CC1=CC(Br)=CS1 BB17-2286 [1,0,0,0,0,0|2,1,0]=4 4 B8R1.1 O=CC1=CC=C(Br)S1 BB01-8320 [1,0,0,0,0,0|0,1,0]=2 5 B8R1.1 O=CC1=CC=C(Cl)S1 BB17-2277 [1,0,0,0,0,0|0,0,0]=1 6 B8R1.1 O=CC1=CC=C(I)O1 BB17-1381 [1,0,0,0,0,0|0,2,0]=3 7 B8R1.7 O=C(O)C1=CSC=N1 BB01-8351 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.7 O=[N+]([O-])C1=CC=CS1 BB17-0786 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.31 O=CC1=CC=C([N+](=O)[O-])S1 BB17-2237 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.58 CC1=CC(C(=O)O)=NN1C BB01-4961 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BB01-3751 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 CC(=O)C1=CC=C(Br)C=N1 BB01-8350 [0,0,0,0,0,1|2,1,0]=4 13 B10R1.13 CC1=CN=C(C(=O)O)C=N1 BB01-8333 [0,0,0,0,0,1|3,0,0]=4 14 B10R1.113 NC(=O)C1=CC(F)=CC=C1 BB17-0563 [0,0,0,0,0,1|2,1,0]=4 15 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 BB17-0501 [0,0,0,0,0,1|2,1,0]=4 16 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB17-0500 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB01-8309 [0,0,0,0,0,1|1,0,0]=2 18 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 BB01-8307 [0,0,0,0,0,1|1,0,0]=2 19 B7R1.1 OCC1=NC=CS1 BB17-2991 [2,0,0,0,0,0|1,0,1]=4 20 B9R1.41 CC1=C(C(=O)O)OC=N1 BB01-8336 [1,1,0,0,0,0|1,1,0]=4 21 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 BB17-2778 [0,1,0,0,0,1|2,0,0]=4 22 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 BB17-0869 [0,1,0,0,0,1|1,1,0]=4 23 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 BB01-8352 [0,1,0,0,0,1|2,0,0]=4 24 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 BB17-0579 [0,1,0,0,0,1|2,0,0]=4 25 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 BB17-0677 [0,1,0,0,0,1|1,0,0]=3 26 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 BB17-0868 [0,1,0,0,0,1|1,1,0]=4 27 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 BB01-8372 [0,1,0,0,0,1|1,0,0]=3 28 B11R1.22 NNC(=O)C1=CN=C(Cl)C=C1 BB17-2987 [0,1,0,0,0,1|2,0,0]=4 29 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 BB17-0944 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 BB17-1915 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 BB01-8300 [0,1,0,0,0,1|1,1,0]=4 32 B11R1.23 COC(=O)C1=CC=CC(N)=C1 BB17-0320 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 BB01-4965 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br BB17-2779 [0,1,0,0,0,1|1,1,0]=4 35 B11R1.159 CC1=C(C(=O)O)C=CC=C1I BB17-2772 [0,1,0,0,0,1|1,1,0]=4 36 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BB17-0688 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 BB17-0943 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.167 NC(=O)C1=C(N)C=CC(Cl)=C1 BB01-8295 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 BB17-0401 [0,1,0,0,0,1|1,1,0]=4 40 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 BB17-0400 [0,1,0,0,0,1|1,0,0]=3 41 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 BB17-0402 [0,1,0,0,0,1|1,1,0]=4 42 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 BB17-0458 [0,1,0,0,0,1|1,1,0]=4 43 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 BB01-8304 [0,1,0,0,0,1|1,1,0]=4 44 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 BB17-0459 [0,1,0,0,0,1|1,1,0]=4 45 B9R1.2 CC1=CC=CC(C=O)=N1 BB17-1884 [1,0,0,0,0,1|2,0,0]=4 46 B9R1.2 O=CC1=CC(I)=CC=C1 BB17-1813 [1,0,0,0,0,1|1,1,0]=4 47 B11R1.75 O=C(O)\C=C\C1=CC=C(I)O1 BB17-2841 [0,0,0,0,0,2|0,2,0]=4