0 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 B006173 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 B007456 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 B048762 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 B051482 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.175 CC(=O)C1=NN(C(C)C)C=C1 B059366 [0,0,0,0,1,0|2,0,0]=3 10 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 B007509 [0,0,0,0,1,0|2,0,0]=3 11 B11R1.175 CC(C)C1=CC(C(=O)O)=NN1 B041293 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 B036455 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 B029943 [0,0,0,0,1,0|2,0,0]=3 14 B11R1.175 CC(C)C1=NOC(C(=O)O)=C1 B037495 [0,0,0,0,1,0|3,0,0]=4 15 B11R1.175 CC(C)N1C=C(C(=O)Cl)C=N1 B047522 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 B024475 [0,0,0,0,1,0|3,0,0]=4 17 B11R1.175 CC(C)N1C=CC(C(=O)O)=N1 B024318 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.175 CC(C)N1C=CC(C(N)=O)=N1 B061573 [0,0,0,0,1,0|3,0,0]=4 19 B13R1.585 CC(=O)C1=CC=C(OC(F)F)C=C1 B016264 [0,0,0,0,0,1|2,0,0]=3 20 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 B059687 [0,0,0,0,0,1|2,0,0]=3 21 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 B006807 [0,0,0,0,0,1|3,0,0]=4 22 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 B006607 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 B029934 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.111 CC(=O)C1=CC(C(C)C)=NN1C B058995 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.359 COC(=O)C1=CC(C(C)C)=NN1 B037328 [0,1,0,0,1,0|2,0,0]=4 28 B12R1.359 COC(=O)C1=CN(C(C)C)N=C1 B051877 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.359 COC(=O)C1=NN(C(C)C)C=C1 B035663 [0,1,0,0,1,0|2,0,0]=4 30 B12R1.359 COC(=O)C1=NOC(C(C)C)=C1 B036483 [0,1,0,0,1,0|2,0,0]=4 31 B14R1.717 COC(=O)C1=CC=C(OC(F)F)C=C1 B016135 [0,1,0,0,0,1|2,0,0]=4 32 B14R1.806 CC(C)CC1=CC=C(S(=O)(=O)Cl)C=C1 B019386 [0,1,0,0,0,1|2,0,0]=4 33 B14R1.719 CCC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 B019387 [0,2,0,0,0,0|2,0,0]=4 34 B14R1.719 CCC(N)C1=CC=C(C(C)(C)C)C=C1 B028615 [0,2,0,0,0,0|1,0,1]=4 35 B14R1.719 CCC(N)C1=CC=C(C(C)(C)C)C=C1 B062945 [0,2,0,0,0,0|1,0,1]=4 36 B14R1.395 CC\C(=N/O)C1=CC=C(C(C)C)C=C1 B015945 [0,2,0,0,0,0|0,0,1]=3 37 B14R1.718 CCC(C)C1=CC=C(C(N)CC)C=C1 B006174 [0,2,0,0,0,0|1,0,1]=4 38 B10R1.31 C(=O)C1=CC(C(C)C)=NN1 B039167 [1,0,0,0,1,0|2,0,0]=4 39 B10R1.31 C(=O)C1=NOC(C(C)C)=C1 B046244 [1,0,0,0,1,0|2,0,0]=4 40 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [1,0,0,0,1,0|2,0,0]=4 41 B10R1.31 CC(C)C1=NOC(C=O)=C1 B046224 [1,0,0,0,1,0|2,0,0]=4 42 B10R1.31 CC(C)N1C=C(C=O)C=N1 B036457 [1,0,0,0,1,0|2,0,0]=4 43 B10R1.31 CC(C)N1C=CC(C=O)=N1 B047534 [1,0,0,0,1,0|2,0,0]=4 44 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [1,0,0,0,1,0|2,0,0]=4 45 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [1,0,0,0,1,0|1,0,0]=3 46 B10R1.31 CCN1C=C(C(C)=O)C=N1 B007419 [1,0,0,0,1,0|2,0,0]=4 47 B10R1.31 CCN1C=CC(C(C)=O)=N1 B017803 [1,0,0,0,1,0|2,0,0]=4 48 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 B000275 [1,0,0,0,0,1|0,0,0]=2 49 B14R1.419 CC(C)C1=CC=C(NCC(=O)O)C=C1 B063208 [0,0,0,0,0,2|1,0,0]=3 50 B14R1.419 CC(C)COC1=CC=C(C(=O)O)C=C1 B037490 [0,0,0,0,0,2|1,0,0]=3