0 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 BBL027721 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BBL009806 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 BBL023669 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.189 COC1=CC(N=C=S)=CC=C1 BBL027946 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 BBL029399 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.192 CNCC1=CC(Cl)=C(O)C=C1 BBL036728 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.192 NCCC1=CC(O)=C(O)C=C1 BBL013043 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BBL036404 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BBL027434 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.280 COC1=CC(C=O)=CC=C1O BBL011956 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.280 COC1=CC(CO)=CC=C1O BBL008880 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 BBL028691 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 BBL009805 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 BBL027720 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BBL036932 [0,1,0,0,0,0|0,0,2]=3 15 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 BBL023006 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.386 C\C=C\C1=CC=C(OC)C(OC)=C1 BBL009809 [0,1,0,0,0,0|1,0,2]=4 17 B13R2.449 BrCCC1=CC=C2OCCC2=C1 BBL030678 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.449 CCNC1=CC=C2OCOC2=C1 BBL027763 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.449 C\C=C\C1=CC=C2OCOC2=C1 BBL027540 [0,0,0,1,0,0|1,0,2]=4 20 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 BBL012569 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [2,0,0,0,0,0|0,0,0]=2 26 B10R1.176 CC1=C(C)C=C(CN)C=C1 BBL037742 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.176 CCC1=CC=C(O)C(N)=C1 BBL008072 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.176 COC1=CC(N)=C(O)C=C1 BBL000043 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 BBL037738 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 BBL036718 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.176 O=CC1=CC=C(O)C(O)=C1 BBL010377 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.280 CNCC1=CC=CC(OC)=C1O BBL036647 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.382 COC1=CC(OCCBr)=CC=C1 BBL029109 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.382 COC1=CC=CC(OCCN)=C1 BBL003515 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BBL032252 [1,1,0,0,0,0|0,0,1]=3 36 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 BBL018252 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.438 COC1=CC=CC(NC(N)=S)=C1 BBL023334 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.288 C=CCC1=CC=C(OC)C(O)=C1 BBL028696 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.288 CCCC1=CC=C(OC)C(O)=C1 BBL028695 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.367 CCC(=O)C1=CC=C(O)C(O)=C1 BBL034668 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.367 CCC(C)C1=CC(N)=C(O)C=C1 BBL027903 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 BBL011663 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 BBL002961 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 BBL009710 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBL011982 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BBL027681 [1,1,0,0,0,0|0,0,0]=2 47 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 BBL014083 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.78 COC1=CC=C(C=O)C=C1OC BBL010373 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.78 COC1=CC=C(CO)C=C1OC BBL027469 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.300 CCC1=NC(CC)=C(O)C(C)=C1 BBL028918 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 BBL037390 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BBL012743 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O BBL023239 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.300 COC1=CC(C=O)=CC(Cl)=C1O BBL023134 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BBL011124 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BBL013991 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBL011791 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.41 COC1=CC(C(N)C(=O)O)=CC=C1O BBL008186 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.1864 CCC(=O)C1=CC=C(OC)C(OC)=C1 BBL009808 [0,2,0,0,0,0|1,0,1]=4 60 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 BBL004522 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.1864 COC1=C(OC)C=C(C(=O)NN)C=C1 BBL002134 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC BBL027727 [0,2,0,0,0,0|1,0,1]=4 63 B14R2.966 NNC(=O)C1=CC=C2OCOC2=C1 BBL015493 [0,1,0,1,0,0|1,0,1]=4 64 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 BBL004927 [0,1,0,1,0,0|1,0,1]=4 65 B14R2.1008 N=C(N)NC1=CC2=C(C=C1)OCO2 BBL031903 [0,1,0,1,0,0|1,0,1]=4 66 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 BBL008286 [0,1,0,1,0,0|0,0,0]=2 67 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 BBL027970 [0,1,0,1,0,0|1,0,1]=4