0 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 BB17-1112 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 BB53-1533 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 BB17-0720 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.21 NC1=C(O)C=C([N+](=O)[O-])C=C1 BB12-1569 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.113 CC(C)C1=CC=NC(N)=N1 BB12-3696 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.113 CC(C)C1=CC=NC(O)=N1 BB12-3691 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 BB12-1260 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.176 CC1=C(F)C=C(C=O)C=C1 BB12-2251 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.176 CC1=CC=C(NN)C=C1C BB56-2531 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.176 CC1=CC=C(NN)C=C1Cl BB56-0335 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.176 [C-]#[N+]C1=CC=C(C)C(C)=C1 BB56-1194 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.176 [C-]#[N+]C1=CC=C(C)C(Cl)=C1 BB56-1210 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 BB53-1298 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 BB53-1497 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 BB12-0014 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.367 CC1=C(C)C=C(C(=O)CCl)C=C1 BB12-1806 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.367 CC1=CC=C(C(N)CO)C=C1C BB56-2162 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.1005 CC(C)C1=CC(N)=C(O)C(Br)=C1 BB17-0377 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.2 CCC1=CC=NC(O)=N1 BB12-3719 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [2,0,0,0,0,0|1,1,0]=4 30 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.3 CC(C)C1=CC=C(NN)C=C1 BB56-1861 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.166 CN(C)C1=CC=C(Br)C=C1N BB12-2661 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.23 [C-]#[N+]C(C)C1=CC(Cl)=CC=C1 BB56-1669 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.74 CC(C)C1=NC(S)=NC(O)=C1 BB53-1328 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.74 CC1=NC(O)=CC(C(C)C)=N1 BB53-1355 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 BB53-1844 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.14 CCC1=CC(N)=C(O)C(Br)=C1 BB17-0378 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.144 CCOC1=C(F)C=C(C(C)N)C=C1 BB53-1498 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.3088 CNC(C)C1=CC(F)=C(OC)C=C1 BB53-1614 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.3088 COC1=C(Cl)C=C(C(N)CO)C=C1 BB56-2222 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.13 CC(=O)C1=CC(C(C)C)=CC=C1C BB17-2377 [0,2,0,0,0,0|0,0,1]=3 50 B13R1.13 CC(C)C1=CC(C(=O)O)=C(O)C=C1 BB17-0621 [0,2,0,0,0,0|1,0,0]=3 51 B13R1.1807 CC1=CC(C)=C(C)C=C1C(N)CO BB56-2232 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.35 CC1=NNC(C(C)C)=C1 BB12-3662 [1,0,0,0,1,0|2,0,0]=4 53 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [1,0,0,0,0,1|1,0,1]=4