0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.352 C=C(O[Si](C)(C)C)C1=CC=CC=C1 16663 [0,1,0,0,0,0|1,1,0]=3 9 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 19494 [0,1,0,0,0,0|1,0,0]=2 10 B13R2.10 CC1C=C(C2=CC=CC=C2)N=N1 20942 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 14932 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [0,0,0,1,0,0|1,0,1]=3 13 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C21 16653 [0,0,0,1,0,0|1,0,0]=2 14 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 16013 [0,0,0,1,0,0|0,0,0]=1 15 B13R2.12159 CC1=CC(C)(O)C2=CC=CC=C12 16627 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [0,0,0,0,1,0|1,0,1]=3 17 B13R1.45 C=C(COC(C)=O)C1=CC=CC=C1 16688 [0,0,0,0,0,1|2,0,1]=4 18 B13R1.45 CC(=O)O\C=C(/C)C1=CC=CC=C1 16788 [0,0,0,0,0,1|2,0,1]=4 19 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 9830 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [2,0,0,0,0,0|0,0,2]=4 21 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 523 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 15716 [1,1,0,0,0,0|0,0,0]=2 28 B12R1.30 CCC\N=C(/C)C1=CC=CC=C1 19936 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.30 CN\C=C/C(=O)C1=CC=CC=C1 13285 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.30 NCCNC(=O)C1=CC=CC=N1 21712 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.30 NCCNC(=O)C1=NC=CC=C1 21700 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 15760 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.27 CCC(O)\C=C\C1=CC=CC=C1 100526 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.891 CC(C)(C)\C=C/C1=CC=CC=C1 100538 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.891 C[Si](C)(C)\C=C\C1=CC=CC=C1 103081 [1,1,0,0,0,0|1,1,0]=4 36 B12R1.564 CC(C)(C)[S@+]([O-])C1=CC=CC=C1 18220 [0,1,0,0,1,0|1,0,1]=4 37 B12R1.564 CC(C)(C)[S@@+]([O-])C1=CC=CC=C1 18405 [0,1,0,0,1,0|1,0,1]=4 38 B12R1.564 CC(C)(O)C(O)C1=CC=CC=C1 1124 [0,1,0,0,1,0|0,0,2]=4 39 B14R1.433 CC(C)(C)SC(=O)CC1=CC=CC=C1 102218 [0,1,0,0,0,1|0,1,0]=3 40 B14R1.743 CN\C(C)=C/C(=O)OC1=CC=CC=C1 13295 [0,1,0,0,0,1|1,0,1]=4 41 B14R1.3335 CC(C)(C)NS(=O)(=O)C1=CC=CC=C1 102680 [0,2,0,0,0,0|2,0,0]=4 42 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 19934 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [1,0,0,1,0,0|1,0,1]=4 44 B12R2.2028 CC1C=C(Cl)C2=CC=CC=C21 16666 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [1,0,0,1,0,0|1,0,0]=3 46 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 13758 [1,0,0,1,0,0|1,0,1]=4 47 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 16304 [1,0,0,1,0,0|1,0,0]=3 48 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 22222 [1,0,0,1,0,0|1,0,0]=3 49 B12R2.2403 CC1(C)C=CC2=CC=CC=C21 16650 [1,0,0,1,0,0|1,0,0]=3 50 B12R2.2403 CC1(C)C=NC2=CC=CC=C21 16056 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,0,0,1,1,0|1,0,1]=4 52 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,0,0,1,1,0|0,0,0]=2 53 B14R2.55357 CC1(C)OC(C)(C)C2=CC=CC=C21 101490 [0,1,0,1,0,0|1,0,1]=4 54 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [1,0,0,0,0,1|2,0,0]=4 55 B12R1.252 CC(C)=C\C=C/C1=CC=CC=C1 100549 [1,0,0,0,0,1|1,0,1]=4 56 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 15479 [0,0,0,0,0,2|1,0,0]=3 57 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 15491 [0,0,0,0,0,2|1,0,0]=3 58 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 15715 [0,0,0,0,0,2|1,0,0]=3