0 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.3 N#CC1=CC=C(CCl)C=C1 B030136 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 B006607 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 B006610 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 B006173 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.31 C(=O)C1=CC(C(C)C)=NN1 B039167 [0,0,0,0,1,0|2,0,0]=3 11 B10R1.31 C(=O)C1=NOC(C(C)C)=C1 B046244 [0,0,0,0,1,0|2,0,0]=3 12 B10R1.31 CC(C)C1=NOC(C=O)=C1 B046224 [0,0,0,0,1,0|2,0,0]=3 13 B10R1.31 CC(C)N1C=C(C=O)C=N1 B036457 [0,0,0,0,1,0|2,0,0]=3 14 B10R1.31 CC(C)N1C=CC(C=O)=N1 B047534 [0,0,0,0,1,0|2,0,0]=3 15 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 B000275 [0,0,0,0,0,1|0,0,0]=1 16 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 B059691 [0,0,0,0,0,1|2,0,1]=4 17 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B004285 [1,1,0,0,0,0|1,0,0]=3 21 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.166 CN(C)C1=CC=C(Br)C=C1N B039646 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.44 CCC(C)N1C=C(C=O)C=N1 B036526 [0,1,0,0,1,0|2,0,0]=4 26 B11R1.48 C(=O)C1=CC(C(C)C)=NN1C B061613 [0,1,0,0,1,0|2,0,0]=4 27 B11R1.48 CC(C)N1C=C(Br)C(C=O)=N1 B060746 [0,1,0,0,1,0|2,0,0]=4 28 B11R1.48 CC(C)N1C=C(C=O)C(Br)=N1 B059877 [0,1,0,0,1,0|2,0,0]=4 29 B11R1.48 CC(C)N1C=C(C=O)C(I)=N1 B059900 [0,1,0,0,1,0|2,0,0]=4 30 B11R1.48 CC(C)N1C=C(Cl)C(C=O)=N1 B060750 [0,1,0,0,1,0|2,0,0]=4 31 B11R1.48 CC(C)N1C=C(I)C(C=O)=N1 B060742 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.48 CC1=NN(C(C)C)C=C1C=O B024550 [0,1,0,0,1,0|2,0,0]=4 33 B11R1.50 CC(C)C1=CC(C=O)=NN1C B047535 [0,1,0,0,1,0|2,0,0]=4 34 B11R1.175 CC(=O)C1=NN(C(C)C)C=C1 B059366 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 B007509 [0,1,0,0,1,0|1,0,0]=3 36 B11R1.175 CC(C)C1=CC(C(=O)O)=NN1 B041293 [0,1,0,0,1,0|2,0,0]=4 37 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 B036455 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 B029943 [0,1,0,0,1,0|1,0,0]=3 39 B11R1.175 CC(C)C1=NOC(C(=O)O)=C1 B037495 [0,1,0,0,1,0|2,0,0]=4 40 B11R1.175 CC(C)N1C=C(C(=O)Cl)C=N1 B047522 [0,1,0,0,1,0|2,0,0]=4 41 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 B024475 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.175 CC(C)N1C=CC(C(=O)O)=N1 B024318 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.175 CC(C)N1C=CC(C(N)=O)=N1 B061573 [0,1,0,0,1,0|2,0,0]=4 44 B11R1.473 CC1=C(C=O)C=NN1C(C)C B024566 [0,1,0,0,1,0|2,0,0]=4 45 B13R1.585 CC(=O)C1=CC=C(OC(F)F)C=C1 B016264 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 B059687 [0,1,0,0,0,1|1,0,0]=3 47 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 B006807 [0,1,0,0,0,1|2,0,0]=4 48 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 B006609 [0,2,0,0,0,0|1,0,1]=4 49 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 B051482 [0,2,0,0,0,0|1,0,1]=4 50 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 B007456 [0,2,0,0,0,0|1,0,1]=4 51 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 B048762 [0,2,0,0,0,0|2,0,0]=4 52 B11R2.21 O=CC1=CC(C2CC2)=NN1 B039280 [0,0,0,1,1,0|2,0,0]=4 53 B13R2.2130 CN1CCC2=C1C=CC(C=O)=C2 B050719 [0,1,0,1,0,0|1,0,0]=3 54 B9R1.21 C(=O)C1=CC(CC)=NO1 B046284 [1,0,0,0,1,0|2,0,0]=4 55 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [1,0,0,0,1,0|1,0,0]=3 56 B9R1.21 CCN1C=C(C=O)C=N1 B000402 [1,0,0,0,1,0|2,0,0]=4 57 B9R1.21 CCN1C=CC(C=O)=N1 B007396 [1,0,0,0,1,0|2,0,0]=4 58 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 B000265 [0,0,0,0,0,2|0,0,0]=2 59 B13R1.3 CC(C)CSC1=CC=C(C=O)C=C1 B022080 [0,0,0,0,0,2|0,0,0]=2 60 B13R1.3 O=CC1=CC=C(OCC(F)F)C=C1 B046401 [0,0,0,0,0,2|2,0,0]=4