0 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 BBL027849 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.3 CC(C)C1=CC=C(CN)C=C1 BBL037227 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BBL027748 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 CCC1=CC=C(C(C)N)C=C1 BBL037374 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 CN(C)C1=CC=C(CN)C=C1 BBL037746 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 CN(C)C1=NC=C(C=O)C=N1 BBL037042 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 COC1=CC=C(C(C)N)C=C1 BBL036328 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 BBL009965 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 BBL013694 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 BBL011957 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.3 CCC1=CC=C(NN)C=C1 BBL022324 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.3 COC1=CC=C(CO)C=C1 BBL027471 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.3 COC1=CC=C(NN)C=C1 BBL012156 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.3 CSC1=CC=C(CN)C=C1 BBL037745 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.3 N#CC1=CC=C(CCl)C=C1 BBL012561 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 BBL011959 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 BBL011456 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 BBL100032 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 BBL037661 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 BBL027956 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.113 CC(C)C1=CC=C(N=C=S)C=C1 BBL027868 [0,1,0,0,0,0|0,1,1]=3 24 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 BBL016180 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 BBL036330 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.113 CN(C)C1=CC=C(N=C=S)C=C1 BBL010073 [0,1,0,0,0,0|1,1,1]=4 27 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 BBL010615 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 BBL016174 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 BBL036745 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 BBL003846 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 BBL012202 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.256 O=[N+]([O-])C1=CC=C(C(F)F)C=C1 BBL102016 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 BBL036237 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.31 CC(C)N1C=CC(C=O)=C1 BBL032011 [0,0,0,0,1,0|1,0,0]=2 35 B10R1.31 CN(C)C1=CC=C(C=O)S1 BBL010057 [0,0,0,0,1,0|2,0,0]=3 36 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BBL028041 [0,0,0,0,0,1|0,0,0]=1 37 B9R1.1 BrCC1=CC=C(I)C=C1 BBL028392 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 COC1=CC=C(S)C=C1 BBL027485 [2,0,0,0,0,0|1,1,0]=4 39 B9R1.1 CSC1=CC=C(O)C=C1 BBL104214 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.1 ClCC1=CC=C(Br)C=C1 BBL027953 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 NC1=CC=C(C=O)C=C1 BBL013016 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.1 NCC1=CC=C(N)C=C1 BBL012240 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 OCC1=CC=C(Cl)C=C1 BBL011936 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 OCC1=CC=C(F)C=C1 BBL027470 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.83 CCC1=CC=C(N=C=O)C=C1 BBL037654 [1,1,0,0,0,0|0,0,1]=3 46 B11R1.83 CCOC1=CC=C(C=O)C=C1 BBL027437 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.83 COC1=CC=C(CCN)C=C1 BBL027694 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.83 COC1=CC=C(CCO)C=C1 BBL027411 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 BBL027751 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.83 O=CC1=CC=C(CCBr)C=C1 BBL032464 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.279 COC1=C(I)C=C(C=O)C=C1 BBL023177 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.279 COC1=CC=C(C=O)C=C1O BBL023550 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 BBL008043 [1,1,0,0,0,0|0,0,1]=3 54 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 BBL036329 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BBL017840 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.22 CCC(N)C1=CC=C(O)C=C1 BBL023689 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BBL009983 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 BBL017839 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 BBL030263 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 BBL011604 [1,1,0,0,0,0|0,0,1]=3 61 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 BBL012002 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.45 CC(C)(C)N1C=CC(C=O)=C1 BBL011996 [0,1,0,0,1,0|1,0,0]=3 63 B11R1.48 CC1=NN(C(C)C)C=C1C=O BBL040315 [0,1,0,0,1,0|2,0,0]=4 64 B11R1.175 CC(=O)C1=CN(C(C)C)N=C1 BBL031090 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.175 CC(C)C1=CC(C(=O)Cl)=CS1 BBL014952 [0,1,0,0,1,0|1,0,0]=3 66 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 BBL016195 [0,1,0,0,1,0|1,0,0]=3 67 B11R1.175 CC(C)C1=NNC(C(=O)O)=C1 BBL008246 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 BBL030073 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.473 CC1=C(C=O)C=NN1C(C)C BBL040993 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.36 COC1=CC=C(C(N)C(C)C)C=C1 BBL030733 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 BBL013629 [0,1,0,0,0,1|0,0,0]=2 72 B13R1.585 CC(=O)C1=CC=C(OC(F)F)C=C1 BBL038144 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 BBL011990 [0,1,0,0,0,1|1,0,1]=4 74 B13R1.585 CC(C)OC1=CC=C(C(=O)Cl)C=C1 BBL014182 [0,1,0,0,0,1|0,0,0]=2 75 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 BBL012037 [0,1,0,0,0,1|0,0,0]=2 76 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=N1 BBL031506 [0,1,0,0,0,1|1,0,0]=3 77 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 BBL038042 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.653 CC(C)OC1=CC=C(C=O)C=C1Br BBL034346 [0,1,0,0,0,1|0,0,0]=2 79 B13R1.537 CC(C)C1=CC=C(C(=O)CCl)C=C1 BBL012015 [0,2,0,0,0,0|0,0,0]=2 80 B13R1.537 CC(C)C1=CC=C(C(=O)NN)C=C1 BBL016320 [0,2,0,0,0,0|0,0,0]=2 81 B13R1.537 CCC(=O)C1=CC=C(C(C)C)C=C1 BBL014146 [0,2,0,0,0,0|0,0,0]=2 82 B13R1.537 CCC(C)C1=CC=C(C(C)=O)C=C1 BBL016636 [0,2,0,0,0,0|0,0,0]=2 83 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 BBL037362 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 BBL008425 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 BBL036992 [0,2,0,0,0,0|0,0,0]=2 86 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 BBL013803 [0,2,0,0,0,0|1,0,0]=3 87 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 BBL000639 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 BBL003546 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.120 CC(C)C1=NC=C(C(=O)O)C(=O)N1 BBL011901 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.120 CN(C)C1=C(N)C=C(C(=O)O)C=C1 BBL002729 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.43 CC(C)CC1=CC=C(C=O)N1 BBL019833 [0,0,1,1,0,0|1,0,1]=4 92 B11R1.159 CC1=CC=CC(C(C)C)=C1N BBL036472 [0,0,1,1,0,0|2,0,0]=4 93 B13R2.428 O=[N+]([O-])C1=CC=C(C2CO2)C=C1 BBL035755 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.21 CCC1=CC=C(C=O)S1 BBL040916 [1,0,0,0,1,0|1,0,0]=3 95 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BBL028078 [1,0,0,0,0,1|1,0,0]=3 96 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 BBL029519 [0,0,0,0,0,2|0,0,0]=2 97 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 BBL030323 [0,0,0,0,0,2|1,0,1]=4 98 B13R1.3 CC(C)CSC1=CC=C(C=O)C=C1 BBL040098 [0,0,0,0,0,2|0,0,0]=2