0 B12R1.252 CC(=O)NCCC1=CC=CC=C1 13725 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(C)=CCCC1=CC=CC=C1 12062 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 20474 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.252 O=C(O)CCCC1=CC=CC=C1 18169 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.252 O=C(O)CSCC1=CC=CC=C1 10410 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.45 C=C(COC(C)=O)C1=CC=CC=C1 16688 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 17073 [0,1,0,0,0,0|0,0,1]=2 8 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 20140 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 22039 [0,1,0,0,0,0|0,0,3]=4 10 B13R1.348 CC(=O)C\C(C)=C\C1=CC=CC=C1 16783 [0,1,0,0,0,0|1,0,2]=4 11 B13R1.348 CC(=O)\C=C(/C)CC1=CC=CC=C1 16782 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.348 [2H]C(C=C(C)C)CC1=CC=CC=C1 100554 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 21734 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 22030 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 13317 [0,1,0,0,0,0|1,0,2]=4 16 B13R2.10 O=C1CN=C(C2=CC=CC=C2)N1 11307 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.10 O=C1CSC(C2=CC=CC=C2)=N1 10154 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 17133 [0,0,0,1,0,0|1,0,2]=4 19 B13R2.5881 CC(=O)NC1CC2=CC=CC=C21 16603 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.5881 CC(=O)OC1CC2=CC=CC=C21 16169 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.5881 CC(=O)\C=C1/CC2=CC=CC=C21 16656 [0,0,0,1,0,0|1,0,2]=4 22 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [0,0,0,0,1,0|0,0,0]=1 23 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [0,0,0,0,1,0|0,0,2]=3 24 B11R1.91 O=S([O-])NCC1=CC=CC=C1 102536 [0,0,0,0,1,0|2,0,1]=4 25 B13R1.337 C=C(C)\C=C\CCC1=CC=CC=C1 100777 [0,0,0,0,0,1|2,0,1]=4 26 B13R1.337 CC(=O)\C=C/NCC1=CC=CC=C1 13496 [0,0,0,0,0,1|1,0,2]=4 27 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 17086 [0,0,0,0,0,1|0,0,3]=4 28 B10R0.71 C=C\C=C/C=C/CCCCC 100793 [1,0,1,0,0,0|1,0,1]=4 29 B10R1.17 O=CNNC1=CC=CC=C1 16370 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.8 NCCCNCC1=CC=CC=C1 19997 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.30 CCCCC(O)C1=CC=CC=C1 100952 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 15265 [0,1,0,0,1,0|0,0,0]=2 33 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 17096 [0,1,0,0,1,0|0,0,2]=4 34 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [0,1,0,0,1,0|0,0,2]=4 35 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 17187 [0,1,0,0,1,0|0,0,0]=2 36 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [0,1,0,0,1,0|0,0,1]=3 37 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,1,0,0,1,0|1,0,1]=4 38 B12R1.125 CC(=O)OCC1=CC=CC=C1C 16781 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 11093 [0,1,0,0,1,0|0,0,2]=4 40 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 17097 [0,1,0,0,1,0|0,0,2]=4 41 B14R1.420 CC(CCCC(=O)O)C1=CC=CC=C1 20250 [0,1,0,0,0,1|0,0,0]=2 42 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 17078 [0,1,0,0,0,1|0,0,0]=2 43 B14R1.423 CC(CCC(=O)O)CC1=CC=CC=C1 20211 [0,1,0,0,0,1|0,0,0]=2 44 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 14928 [0,2,0,0,0,0|0,0,1]=3 45 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 17074 [0,2,0,0,0,0|0,0,1]=3 46 B14R1.678 CC1=CC=C(C(C)CCC(=O)O)C=C1 12760 [0,2,0,0,0,0|0,0,0]=2 47 B14R1.678 CC1=CC=C(C(C)CCC(=O)[O-])C=C1 12477 [0,2,0,0,0,0|0,0,1]=3 48 B14R1.678 CC1=CC=C(C(C)CCC(=O)[O-])C=C1 12761 [0,2,0,0,0,0|0,0,1]=3 49 B14R1.678 CC1=CC=C(C(C)CCC(=O)[O-])C=C1 12762 [0,2,0,0,0,0|0,0,1]=3 50 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 17077 [0,2,0,0,0,0|0,0,1]=3 51 B14R1.813 CC(=O)OCC(F)(F)C1=CC=CC=C1 100180 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.813 C[Si](C)(CCC(=O)O)C1=CC=CC=C1 19757 [0,2,0,0,0,0|0,1,0]=3 53 B14R1.837 COC(=O)NCCC1=CC=CC=C1N 11448 [0,2,0,0,0,0|1,0,0]=3 54 B14R1.756 COC(=O)C(C)CCC1=CC=CC=C1 17193 [0,2,0,0,0,0|0,0,0]=2 55 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 18171 [0,2,0,0,0,0|0,0,0]=2 56 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 102159 [0,2,0,0,0,0|2,0,0]=4 57 B12R2.1 O=CC1C=NC2=CC=CC=C21 20920 [1,0,0,1,0,0|1,0,1]=4 58 B12R2.1 O=NN1CCC2=CC=CC=C21 11449 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [1,0,0,1,0,0|0,0,2]=4 60 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [0,0,0,1,1,0|2,0,0]=4 61 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,0,0,1,1,0|2,0,0]=4 62 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 16604 [0,0,0,1,1,0|0,0,0]=2 63 B14R2.25733 CC1=CC(C(=O)O)C2=CC=CC=C12 16635 [0,1,0,1,0,0|0,0,2]=4 64 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 16619 [0,1,0,1,0,0|0,0,1]=3 65 B14R2.958 COC(=O)C1N=C1C2=CC=CC=C2 100142 [0,1,0,1,0,0|1,0,1]=4 66 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 20300 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [0,0,0,0,2,0|1,0,0]=3 68 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [0,0,0,0,2,0|2,0,0]=4 69 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [0,0,0,0,2,0|2,0,0]=4 70 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [0,0,0,0,2,0|0,0,0]=2 71 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [0,0,0,0,2,0|0,0,0]=2