0 B12R1.286 COC1=CC(CCN)=CC=C1O 10603 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.189 COC1=CC=CC(CC#N)=C1 26793 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.189 COC1=CC=CC(CCN)=C1 32493 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.192 NCCC1=CC=C(O)C(O)=C1 11757 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.280 CCC1=CC(OC)=C(O)C=C1 27548 [1,0,0,0,0,0|0,0,1]=2 5 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 29065 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.280 COC1=C(O)C=CC(C#N)=C1 26790 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.280 COC1=C(O)C=CC(C=O)=C1 27090 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.280 COC1=C(O)C=CC(CN)=C1 27642 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.280 COC1=C(O)C=CC(CO)=C1 12971 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.280 COC1=CC(C=O)=CC=C1F 21819 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.280 COC1=CC=C(N)C(OC)=N1 30705 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 02317 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 26849 [0,1,0,0,0,0|1,0,2]=4 14 B13R2.599 COC1=CC2=C(C=CN2)C=C1Cl 21015 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.172 COC1=CC=CC(CBr)=C1 14049 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.172 COC1=CC=CC(CCl)=C1 07251 [2,0,0,0,0,0|1,0,1]=4 17 B10R1.172 COC1=CC=CC(OC)=C1 31189 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.172 COC1=CC=NC(OC)=C1 24194 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.172 COC1=NC(C=O)=CC=C1 19223 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.172 CSC1=CC=CC(C=O)=C1 26618 [2,0,0,0,0,0|1,1,0]=4 21 B10R1.176 COC1=CC(Br)=C(O)C=C1 17182 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.176 COC1=CC(N)=C(O)C=C1 24931 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.176 N#CC1=CC(O)=C(O)C=C1 27407 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 27427 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.176 O=CC1=CC(O)=C(I)C=C1 27912 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 O=CC1=CC(O)=C(O)C=C1 21243 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.30 COC1=C(C)C=CC(I)=C1 28997 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [2,0,0,0,0,0|0,0,0]=2 29 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [2,0,0,0,0,0|0,0,0]=2 30 B10R1.30 COC1=CC(Br)=CC=C1Cl 21663 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.30 COC1=CC(Cl)=CC=C1N 17703 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.435 COC1=CC=CC(C(=O)C#N)=C1 18274 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 30866 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.435 COC1=CC=CC(C(=O)NN)=C1 27124 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 20816 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 20817 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.19 CC1=CC(CC(=O)O)=CC=C1O 28947 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 28381 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 27908 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 24120 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 28300 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 28287 [1,1,0,0,0,0|0,0,1]=3 43 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 26877 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.78 COC1=C(OC)C=C(CO)C=C1 26916 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 24867 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.78 COC1=CC=C(CN)C(OC)=C1 02301 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.78 COC1=CC=C(CN)C(OC)=C1 27711 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O 28480 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 26585 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.453 CCC1=CC=C(O)C(C(C)=O)=C1 24667 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 25769 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.41 COC1=C(O)C=CC(C(O)C(=O)O)=C1 21966 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.439 CCOC1=CC(CC(=O)O)=CC=C1O 21513 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 21921 [0,2,0,0,0,0|1,0,1]=4 55 B14R1.793 CNCCC1=CC(OC)=C(OC)C=C1 32465 [0,2,0,0,0,0|0,0,2]=4 56 B14R1.793 COC1=C(OC)C=C(\C=C\C#N)C=C1 26795 [0,2,0,0,0,0|0,0,1]=3 57 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 21842 [0,2,0,0,0,0|0,0,1]=3 58 B14R1.42 COC1=CC(\C=C\C(=O)[O-])=CC=C1O 31785 [0,2,0,0,0,0|0,0,1]=3 59 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O 30396 [0,0,1,1,0,0|2,0,0]=4 60 B12R2.44 CCC1=CC2=C(C=C1)NC=C2 20920 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.44 COC1=CC2=C(C=C1)NC=C2 01406 [1,0,0,1,0,0|1,0,0]=3 62 B12R2.44 COC1=CC2=C(C=CN2)C=C1 21873 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.44 COC1=CC2=C(C=N1)NC=C2 29167 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.44 COC1=CC2=C(N=C1)NC=C2 28975 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.44 COC1=CC=C2CCNC2=C1 19218 [1,0,0,1,0,0|1,0,1]=4 66 B12R2.44 COC1=CC=C2CNCC2=C1 20412 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.315 CCC1=CC=CC2=C1NC=C2 21177 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.315 COC1=C2CCNC2=CC=C1 20305 [1,0,0,1,0,0|1,0,1]=4 69 B12R2.315 COC1=C2CCNC2=CC=C1 29848 [1,0,0,1,0,0|1,0,1]=4 70 B12R2.315 COC1=C2NC=CC2=CC=N1 26310 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.315 COC1=CC=CC2=C1C=CN2 21948 [1,0,0,1,0,0|1,0,1]=4 72 B12R2.315 COC1=CC=CC2=C1NC=C2 22066 [1,0,0,1,0,0|1,0,0]=3 73 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 20987 [1,0,0,1,0,0|1,0,0]=3 74 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 21180 [0,1,0,1,0,0|1,0,0]=3