0 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 B048536 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 B050024 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 B020924 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.29 CCNS(=O)(=O)C1=CC=C(N)C=C1 B000465 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.132 CC(C)OC(=O)C1=CC=C(N)C=C1 B019993 [0,1,0,0,0,0|0,0,0]=1 8 B13R1.466 CCOC(=O)C1=CC(Cl)=C(Cl)N=C1 B050426 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.1511 CCOC(=O)C1=C(N)N=C(S)N=C1 B030592 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.12 NC1=CC=C(C2=CC=NO2)C=C1 B022185 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 B029672 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 B037065 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.5179 NC1=NC=C2C(=O)CCCC2=N1 B048943 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.15 CCOC(=O)C1=CC(C)=NN1 B047355 [0,0,0,0,1,0|3,0,0]=4 15 B11R1.15 CCOC(=O)C1=CC=C(F)S1 B047311 [0,0,0,0,1,0|2,0,0]=3 16 B11R1.15 CCOC(=O)C1=CN(C)N=C1 B051309 [0,0,0,0,1,0|3,0,0]=4 17 B11R1.15 CCOC(=O)C1=NN(C)C=C1 B016167 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.15 CCOC(=O)C1=NNC(N)=C1 B020118 [0,0,0,0,1,0|2,0,0]=3 19 B11R1.15 CCOC(=O)C1=NNC(N)=C1 B037177 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.15 CCOC(=O)C1=NNC(O)=C1 B038505 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.15 CCOC(=O)C1=NOC(C)=C1 B044460 [0,0,0,0,1,0|3,0,0]=4 22 B11R1.15 CCOC(=O)C1=NOC(O)=C1 B037566 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [2,0,0,0,0,0|0,0,2]=4 24 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 B049655 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.30 NCCNC(=O)C1=CC=NC=C1 B039483 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 B000457 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.12 CC\C(=N/O)C1=CC=C(C)C=C1 B006528 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 B049028 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.312 CCOC(=O)C1=CC=C(CN)O1 B048720 [0,1,0,0,1,0|1,0,0]=3 33 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 B000345 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.313 CCOC(=O)C1=C(N)SC(C)=C1 B000754 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.313 CCOC(=O)C1=CC(N)=NN1C B024399 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.313 CCOC(=O)C1=CC(N)=NN1C B037118 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.314 CCOC(=O)C1=NN(C)C(N)=C1 B051281 [0,1,0,0,1,0|2,0,0]=4 38 B12R1.314 CCOC(=O)C1=NN(C)C(N)=C1 B051395 [0,1,0,0,1,0|2,0,0]=4 39 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [1,0,0,1,0,0|1,0,1]=4 40 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 B050678 [1,0,0,1,0,0|0,0,0]=2 41 B10R1.11 CCOC(=O)C1=CC=NN1 B016205 [1,0,0,0,1,0|2,0,0]=4 42 B10R1.11 CCOC(=O)C1=CNN=C1 B038941 [1,0,0,0,1,0|2,0,0]=4 43 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [1,0,0,0,1,0|2,0,0]=4 44 B10R1.14 COC(=O)C1=NNC(N)=C1 B022624 [1,0,0,0,1,0|2,0,0]=4 45 B10R1.14 COC(=O)C1=NNC(N)=C1 B051754 [1,0,0,0,1,0|2,0,0]=4 46 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 B047307 [0,0,0,0,0,2|1,0,0]=3