0 B11R1.83 COC1=CC=C(OC#N)C=C1 009599 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.83 COCC1=CC=C(C#N)C=C1 075988 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.4 COC1=CC=C(NC(C)C)C=C1 020629 [0,1,0,0,0,0|3,0,0]=4 3 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 216655 [0,1,0,0,0,0|2,0,1]=4 4 B12R1.71 C#CCOC1=CC=C(C=O)C=C1 039385 [0,1,0,0,0,0|0,0,1]=2 5 B12R1.71 CCC1=CC=C(SCCO)C=C1 019396 [0,1,0,0,0,0|1,1,1]=4 6 B12R1.71 CCCSC1=CC=C(OC)C=C1 095118 [0,1,0,0,0,0|2,1,0]=4 7 B12R1.71 CCOCC1=CC=C(C#N)C=C1 080130 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.71 CC\N=C\C1=CC=C(OC)C=C1 080250 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.9 C(=O)C1=CC=C(C2CC2)C=C1 039873 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [2,0,0,0,0,0|2,0,0]=4 11 B9R1.8 CCOC1=CC=CN=C1 180053 [2,0,0,0,0,0|1,0,0]=3 12 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [1,1,0,0,0,0|1,1,0]=4 13 B11R1.1 CCCSC1=CC=C(Cl)C=C1 094923 [1,1,0,0,0,0|1,1,0]=4 14 B11R1.1 CC\N=C\C1=CC=C(C)C=C1 180176 [1,1,0,0,0,0|1,0,1]=4 15 B11R1.1 COCOC1=CC=C(Br)C=C1 235426 [1,1,0,0,0,0|1,0,0]=3 16 B11R1.1 OCCCC1=CC=C(O)C=C1 209107 [1,1,0,0,0,0|1,0,1]=4 17 B11R1.20 CC(C)OC1=CC=C(F)C=C1 098420 [1,1,0,0,0,0|1,0,0]=3 18 B11R1.81 CCNC1=CC=C(Cl)C=C1N 017139 [1,1,0,0,0,0|2,0,0]=4 19 B11R1.81 CCOC1=C(F)C=C(Br)C=C1 070618 [1,1,0,0,0,0|1,0,0]=3 20 B11R1.81 CCOC1=C(F)C=C(I)C=C1 038780 [1,1,0,0,0,0|1,0,0]=3 21 B11R1.81 CCOC1=C(F)C=C(N)C=C1 038781 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 098318 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 211586 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.192 CCSC1=CC(Cl)=C(Cl)C=C1 094568 [1,1,0,0,0,0|1,1,0]=4 25 B11R1.3 N=C(N)C1=CC=C(CN)C=C1 011383 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.142 CCCC1=CC=C(NC(N)=S)C=C1 103677 [0,2,0,0,0,0|1,1,0]=4 27 B13R1.585 CC(C)OC1=CC=C(C(=O)Cl)C=C1 014694 [0,2,0,0,0,0|0,0,0]=2 28 B13R1.653 CC(C)OC1=C(I)C=C(C=O)C=C1 104748 [0,2,0,0,0,0|0,0,0]=2 29 B13R1.74 CCCOC1=NC=C(C(=O)O)C=C1 046601 [0,2,0,0,0,0|1,0,0]=3 30 B13R1.75 CCCOC1=C(I)C=C(C=O)C=C1 105055 [0,2,0,0,0,0|0,0,0]=2 31 B13R1.3945 CCOC1=C(C)C=C(C=O)C=C1C 094593 [0,2,0,0,0,0|0,0,0]=2 32 B13R2.449 O\N=C\C1=CC2=C(C=C1)OCC2 094017 [0,1,0,1,0,0|0,0,1]=3