0 B18R2.3748 CC(C)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N PH004178 [0,0,0,0,0,0|3,0,0]=3 1 B18R2.3748 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl S433616 [0,0,0,0,0,0|2,0,0]=2 2 B18R2.3748 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)F S450022 [0,0,0,0,0,0|2,0,0]=2 3 B18R2.3748 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O PH002992 [0,0,0,0,0,0|2,0,0]=2 4 B18R2.3748 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br S385719 [0,0,0,0,0,0|1,0,0]=1 5 B18R2.3748 NC1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)N PH001913 [0,0,0,0,0,0|1,0,0]=1 6 B18R2.3748 O=S(=O)(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl S433527 [0,0,0,0,0,0|2,0,0]=2 7 B17R2.203 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 S450502 [1,0,0,0,0,0|1,0,0]=2 8 B17R2.203 O=P(O)(C1=CC=CC=C1)C2=CC=C(C=C2)I S311545 [1,0,0,0,0,0|2,0,1]=4 9 B17R2.203 O=S(=O)(C1=CC=CC=C1)C2=CC=C(C=N2)Cl PH017295 [1,0,0,0,0,0|2,0,0]=3 10 B17R2.203 O=S(=O)(C1=CC=CC=C1)C2=CC=[N+](C=C2)[O-] PH007422 [1,0,0,0,0,0|2,0,0]=3 11 B17R2.217 NC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)N PH000347 [1,0,0,0,0,0|0,0,1]=2 12 B17R2.217 O=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Br S449849 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.217 O=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Br R530697 [1,0,0,0,0,0|3,0,0]=4 14 B17R2.217 O=C(C1=CC=C(C=C1)I)C2=CC=C(C=C2)I R530646 [1,0,0,0,0,0|3,0,0]=4 15 B19R2.94 CCC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl S62821 [0,1,0,0,0,0|2,0,0]=3 16 B19R2.94 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C PH005827 [0,1,0,0,0,0|2,0,0]=3 17 B19R2.94 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)F S433543 [0,1,0,0,0,0|2,0,0]=3 18 B19R2.12156 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)N S661708 [0,1,0,0,0,0|2,0,0]=3 19 B19R2.12156 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2N)N PH001043 [0,1,0,0,0,0|0,0,0]=1 20 B19R2.12156 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2O)N PH001042 [0,1,0,0,0,0|0,0,0]=1 21 B19R2.12171 CC1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N PH001044 [0,1,0,0,0,0|0,0,0]=1 22 B19R2.12171 NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C(=C2)N)N PH000386 [0,1,0,0,0,0|0,0,0]=1 23 B17R2.204 NC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(S2)N PH001911 [0,0,0,0,1,0|2,0,0]=3 24 B19R2.12226 CC1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)C S807133 [0,0,0,0,0,1|2,0,0]=3 25 B19R2.12226 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C R676896 [0,0,0,0,0,1|2,0,0]=3 26 B19R2.12226 CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F R577154 [0,0,0,0,0,1|2,0,0]=3 27 B19R2.12226 CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl S169536 [0,0,0,0,0,1|2,0,0]=3 28 B19R2.12226 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br R677299 [0,0,0,0,0,1|2,0,0]=3 29 B19R2.12226 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl T100161 [0,0,0,0,0,1|2,0,0]=3 30 B19R2.12226 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F R175323 [0,0,0,0,0,1|2,0,0]=3 31 B19R2.12226 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=N2)Cl PH006425 [0,0,0,0,0,1|3,0,0]=4 32 B19R2.12226 CC1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)C S807648 [0,0,0,0,0,1|2,0,0]=3 33 B19R2.12226 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)I S351482 [0,0,0,0,0,1|1,0,0]=2 34 B19R2.12226 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(N=N2)Cl R434698 [0,0,0,0,0,1|3,0,0]=4 35 B19R2.12226 NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NN=C(C=C2)Cl R434892 [0,0,0,0,0,1|3,0,0]=4 36 B19R2.12226 O=S(=O)(NC1=CC=C(C=C1)Br)C2=CC=C(C=C2)Cl R590436 [0,0,0,0,0,1|2,0,0]=3 37 B19R2.12226 O=S(=O)(NC1=CC=C(C=C1)Br)C2=CC=C(C=C2)F R577162 [0,0,0,0,0,1|2,0,0]=3 38 B19R2.12226 O=S(=O)(NC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)F R577146 [0,0,0,0,0,1|2,0,0]=3 39 B19R2.12226 O=S(=O)(OC1=CC=C(C=C1)Br)C2=CC=C(C=C2)Cl S61892 [0,0,0,0,0,1|2,0,0]=3 40 B16R2.2945 O=S(=O)(C1=CC=CC=C1)C2=CC=NC=C2 PH007766 [2,0,0,0,0,0|1,0,0]=3 41 B16R2.33 NC1=CC=C(C=C1)N=C2C=CC(=[NH2+])C=C2 R324965 [2,0,0,0,0,0|1,0,1]=4 42 B16R2.33 NC1=CC=C(C=C1)N=C2C=CC(=[NH2+])C=C2 S944300 [2,0,0,0,0,0|1,0,1]=4 43 B18R2.67 CCC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 S807494 [1,1,0,0,0,0|1,0,0]=3 44 B18R2.67 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 S833347 [1,1,0,0,0,0|1,0,0]=3 45 B18R2.9042 NC1=CC=C(C(=C1)Cl)C(=O)C2=CC=C(C=C2)Cl S651443 [1,1,0,0,0,0|2,0,0]=4 46 B18R2.68 NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)NO PH001056 [0,1,0,0,1,0|2,0,0]=4 47 B18R2.9171 CC1=C(SC(=N1)N)S(=O)(=O)C2=CC=C(C=C2)N PH005207 [0,1,0,0,1,0|2,0,0]=4 48 B20R2.60 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br R577782 [0,1,0,0,0,1|2,0,0]=4 49 B20R2.60 COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl R577790 [0,1,0,0,0,1|2,0,0]=4 50 B20R2.5436 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C#N PH005808 [0,1,0,0,0,1|1,0,1]=4 51 B20R2.5436 CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl S791857 [0,1,0,0,0,1|2,0,0]=4 52 B20R2.5436 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C R676934 [0,1,0,0,0,1|2,0,0]=4 53 B20R2.5436 COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F R577227 [0,1,0,0,0,1|2,0,0]=4 54 B20R2.15363 CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)Cl S515884 [0,1,0,0,0,1|2,0,0]=4 55 B20R2.68176 CC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)C)C S807257 [0,1,0,0,0,1|2,0,0]=4 56 B20R2.68185 O=S(=O)(NC1=CC=C(C=C1)I)C2=CC=C(C(=C2)Cl)Cl S905283 [0,1,0,0,0,1|2,0,0]=4 57 B20R2.238555 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N S647608 [0,1,0,0,0,1|2,0,0]=4 58 B20R2.238555 CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C R577200 [0,1,0,0,0,1|2,0,0]=4 59 B20R2.238555 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C)Br R228575 [0,1,0,0,0,1|2,0,0]=4 60 B20R2.238555 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C)Cl T100013 [0,1,0,0,0,1|2,0,0]=4 61 B20R2.238555 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)Cl R578347 [0,1,0,0,0,1|2,0,0]=4 62 B20R2.238555 CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl S519596 [0,1,0,0,0,1|2,0,0]=4 63 B20R2.238555 O=S(=O)(OC1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)Cl S67432 [0,1,0,0,0,1|2,0,0]=4 64 B20R2.238562 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)Cl R536601 [0,1,0,0,0,1|2,0,0]=4 65 B20R2.238562 CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C R701203 [0,1,0,0,0,1|2,0,0]=4 66 B20R2.238562 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Br)C R577049 [0,1,0,0,0,1|2,0,0]=4 67 B20R2.238562 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)C R676942 [0,1,0,0,0,1|2,0,0]=4 68 B20R2.238562 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)Cl R578290 [0,1,0,0,0,1|2,0,0]=4 69 B20R2.238562 O=S(=O)(NC1=CC(=C(C=C1)Cl)Cl)C2=CC=C(C=C2)Cl S687529 [0,1,0,0,0,1|2,0,0]=4 70 B20R2.238562 O=S(=O)(NC1=CC(=C(C=C1)Cl)Cl)C2=CC=C(C=C2)F R577294 [0,1,0,0,0,1|2,0,0]=4 71 B20R2.238562 O=S(=O)(NC1=CC(=C(C=C1)F)Cl)C2=CC=C(C=C2)Cl R536512 [0,1,0,0,0,1|2,0,0]=4 72 B20R2.2553 CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl S45110 [0,2,0,0,0,0|2,0,0]=4 73 B20R2.2553 CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl S945668 [0,2,0,0,0,0|2,0,0]=4 74 B20R2.2553 O=S(=O)(C1=CC=C(C=C1)Br)C2=CC=C(C=C2)N=C=S L308234 [0,2,0,0,0,0|1,0,1]=4 75 B20R2.5634 CNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC S44920 [0,2,0,0,0,0|0,0,0]=2 76 B20R2.5634 O=S(=O)(C1=CC=C(C=C1)CBr)C2=CC=C(C=C2)CBr PH001937 [0,2,0,0,0,0|2,0,0]=4 77 B20R2.15701 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl S250759 [0,2,0,0,0,0|2,0,0]=4 78 B20R2.15701 CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl S62848 [0,2,0,0,0,0|2,0,0]=4 79 B20R2.15701 CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] S630888 [0,2,0,0,0,0|1,0,1]=4 80 B20R2.15701 CN(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)F S169447 [0,2,0,0,0,0|1,0,0]=3 81 B20R2.15701 O=[N+]([O-])C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br PH003404 [0,2,0,0,0,0|1,0,1]=4 82 B20R2.238696 CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=C(C=C2)Cl)C S807230 [0,2,0,0,0,0|2,0,0]=4 83 B20R2.238696 CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2C)C)C S798975 [0,2,0,0,0,0|2,0,0]=4 84 B20R2.15844 CC1=CC=C(C=C1C)S(=O)(=O)C2=CC=C(C(=C2)C)C S195952 [0,2,0,0,0,0|2,0,0]=4 85 B20R2.15844 NC1=CC(=CC=C1O)S(=O)(=O)C2=CC(=C(C=C2)O)N S441074 [0,2,0,0,0,0|2,0,0]=4 86 B20R2.15844 O=S(=O)(C1=CC=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl S628581 [0,2,0,0,0,0|2,0,0]=4 87 B20R2.1299271 CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C(=C2)C)C)C R158011 [0,2,0,0,0,0|2,0,0]=4 88 B16R2.2834 CC1=CC=C(S1)S(=O)(=O)C2=CC=CC=C2 S799904 [1,0,0,0,1,0|2,0,0]=4 89 B18R2.260 CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2 S779067 [1,0,0,0,0,1|1,0,0]=3 90 B18R2.260 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 S560006 [1,0,0,0,0,1|1,0,0]=3 91 B18R2.260 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2 BOG00282 [1,0,0,0,0,1|2,0,0]=4 92 B18R2.260 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2 S261025 [1,0,0,0,0,1|2,0,0]=4 93 B18R2.260 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=NC=C2 R676667 [1,0,0,0,0,1|2,0,0]=4 94 B18R2.260 CC1=CC=C(C=C1)S(=O)(=O)NC2=CN=CC=C2 S261009 [1,0,0,0,0,1|2,0,0]=4 95 B18R2.260 CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2 S509337 [1,0,0,0,0,1|1,0,0]=3 96 B18R2.260 CC1=CC=C(C=C1)S(=O)(=O)SC2=CC=CC=C2 S775789 [1,0,0,0,0,1|1,0,0]=3 97 B18R2.260 NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 CDS002580 [1,0,0,0,0,1|0,0,0]=2 98 B18R2.260 NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2 S500224 [1,0,0,0,0,1|0,0,0]=2 99 B18R2.260 O=S(=O)(CC1=CC=CC=C1)C2=CC=C(C=C2)Cl S863300 [1,0,0,0,0,1|1,0,0]=3 100 B18R2.260 O=S(=O)(NC1=CC=CC=N1)C2=CC=C(C=C2)O PH010781 [1,0,0,0,0,1|2,0,0]=4 101 B18R2.260 O=S(=O)(NC1=CN=CC=C1)C2=CC=C(C=C2)Br PH010645 [1,0,0,0,0,1|2,0,0]=4 102 B18R2.260 O=S(=O)(OC1=CC=CC=C1)C2=CC=C(C=C2)Cl S67440 [1,0,0,0,0,1|1,0,0]=3 103 B18R2.3749 O=C1C=CC(=NS(=O)(=O)C2=CC=CC=C2)C=C1 S201308 [1,0,0,0,0,1|1,0,0]=3 104 B18R2.3749 O=S(=O)(NC1=CC=C(C=C1)Br)C2=CC=CC=C2 S450383 [1,0,0,0,0,1|1,0,0]=3 105 B18R2.3749 O=S(=O)(NC1=CC=C(C=C1)F)C2=CC=CC=C2 S791792 [1,0,0,0,0,1|1,0,0]=3 106 B18R2.3749 O=S(=O)(NC1=CC=C(C=C1)O)C2=CC=CC=C2 S388157 [1,0,0,0,0,1|1,0,0]=3 107 B18R2.3762 NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br R703095 [1,0,0,0,0,1|2,0,0]=4 108 B20R2.16009 CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)O T159492 [0,0,0,0,0,2|2,0,0]=4 109 B20R2.16009 CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)Cl R676799 [0,0,0,0,0,2|2,0,0]=4