0 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BBL036404 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BBL027434 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.280 COC1=CC(C=O)=CC=C1O BBL011956 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.280 COC1=CC(CO)=CC=C1O BBL008880 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.30 CCC1=C(N)C=CC(I)=C1 BBL018999 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.176 CC1=C(C)C=C(CN)C=C1 BBL037742 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.176 CCC1=CC=C(O)C(N)=C1 BBL008072 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.176 COC1=CC(N)=C(O)C=C1 BBL000043 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 BBL014075 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 BBL037738 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 BBL036718 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.176 O=C1C=C(CCl)OC=C1O BBL010839 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.176 O=C1C=C(CO)OC=C1O BBL010645 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.176 O=CC1=CC=C(O)C(O)=C1 BBL010377 [1,0,0,0,0,0|1,0,1]=3 14 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 BBL009514 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 BBL027639 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 BBL009710 [0,1,0,0,0,0|0,0,1]=2 17 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBL011982 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Cl BBL002993 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BBL027681 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 BBL014083 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.78 COC1=CC=C(C=O)C=C1OC BBL010373 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.78 COC1=CC=C(CO)C=C1OC BBL027469 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 BBL023745 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.78 COC1=CC=C(OC)C(CN)=C1 BBL036275 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.270 CCOC1=C(O)C=CC(C=O)=C1 BBL023011 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 BBL027721 [0,1,0,0,0,0|0,0,1]=2 27 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BBL009806 [0,1,0,0,0,0|0,0,0]=1 28 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 BBL023669 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.300 CCC1=NC(CC)=C(O)C(C)=C1 BBL028918 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 BBL037390 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BBL012743 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O BBL023239 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.300 COC1=CC(C=O)=CC(Cl)=C1O BBL023134 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BBL011124 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BBL013991 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBL011791 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.453 COC1=CC=C(O)C(C(=O)O)=C1 BBL012998 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.44 O=CC1=CC=C2OCOC2=C1 BBL007668 [0,0,0,1,0,0|1,0,1]=3 39 B12R2.44 OCC1=CC=C2OCOC2=C1 BBL011934 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.2 BrCC1=CC(Br)=CC=C1 BBL019514 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.2 CC1=CC=CC(NN)=C1 BBL012136 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.2 ClCC1=CC=CC(Br)=C1 BBL027952 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.2 NC1=CC(CO)=CC=C1 BBL003537 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.2 NCC1=CC(N)=CC=C1 BBL011549 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.15 COC1=NC=CC=C1N BBL029047 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.69 CC1=CC(=O)C(O)=CO1 BBL034899 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.69 CC1=CC(=O)C=CC1=O BBL037012 [2,0,0,0,0,0|1,0,1]=4 48 B9R1.69 CC1=CC(C)=C(O)C=C1 BBL011443 [2,0,0,0,0,0|0,0,0]=2 49 B9R1.69 CC1=CC(N)=C(N)C=C1 BBL013178 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.69 CC1=CC(N)=C(O)C=C1 BBL001485 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.69 CC1=CC(O)=C(N)C=C1 BBL002991 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.69 NC1=CC(Cl)=CC=C1O BBL012067 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.69 NC1=CC=C(Cl)C=C1O BBL018708 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 BrCC1=CC=C(I)C=C1 BBL028392 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.1 COC1=CC=C(S)C=C1 BBL027485 [2,0,0,0,0,0|1,1,0]=4 56 B9R1.1 CSC1=CC=C(O)C=C1 BBL104214 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.1 ClCC1=CC=C(Br)C=C1 BBL027953 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 NCC1=CC=C(N)C=C1 BBL012240 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 OCC1=CC=C(Cl)C=C1 BBL011936 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 OCC1=CC=C(F)C=C1 BBL027470 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.37 COC1=C(C=O)C=CC(C)=C1 BBL034934 [1,1,0,0,0,0|0,0,1]=3 62 B11R1.37 COC1=CC=C(I)C=C1OC BBL034724 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.37 COC1=NC(C)=CC=C1C#N BBL032265 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BBL028124 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBL027378 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BBL028200 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.167 CC1=CC=C(O)C(C(=O)O)=C1 BBL027383 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BBL036631 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.189 CCC1=CC(N=C=O)=CC=C1 BBL037644 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.189 CCOC1=CC=CC(C=O)=C1 BBL034234 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.189 COC1=CC(N=C=S)=CC=C1 BBL027946 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.266 COC1=CC=CC(C(C)N)=C1 BBL039578 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.267 COC1=CC=CC(C=O)=C1O BBL009824 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.267 COC1=CC=CC(CN)=C1O BBL023697 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.14 CC1=CC(C=O)=CC(C)=C1O BBL100114 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.14 COC1=CC(C)=C(N)C(C)=C1 BBL034370 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 BBL008043 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 BBL036329 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 BBL012232 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 BBL029399 [1,1,0,0,0,0|0,0,1]=3 81 B11R1.192 CCOC1=CC(N)=C(N)C=C1 BBL000365 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.192 CNCC1=CC(Cl)=C(O)C=C1 BBL036728 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.192 NCCC1=CC(O)=C(O)C=C1 BBL013043 [1,1,0,0,0,0|0,0,0]=2 84 B11R1.279 COC1=CC=C(C=O)C=C1O BBL023550 [1,1,0,0,0,0|1,0,1]=4 85 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 BBL028691 [0,2,0,0,0,0|0,0,0]=2 86 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 BBL009805 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.354 CCOC1=CC(C(=O)O)=CC=C1O BBL034933 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 BBL025942 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.99 COC1=CC(OC)=C(C(C)=O)C=C1 BBL027722 [0,2,0,0,0,0|1,0,1]=4 90 B13R1.99 COC1=CC=C(C(=O)O)C(OC)=C1 BBL027381 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.99 COC1=CC=C(C(=O)O)C(OC)=N1 BBL028153 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.355 CCOC1=CC(C=O)=CC=C1OC BBL015525 [0,2,0,0,0,0|1,0,1]=4 93 B13R1.355 COCC1=CC(C=O)=CC=C1OC BBL013862 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 BBL027720 [0,2,0,0,0,0|0,0,1]=3 95 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BBL036932 [0,2,0,0,0,0|0,0,1]=3 96 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 BBL023006 [0,2,0,0,0,0|0,0,0]=2 97 B13R1.386 C\C=C\C1=CC=C(OC)C(OC)=C1 BBL009809 [0,2,0,0,0,0|0,0,1]=3 98 B13R1.434 COC1=CC(C=O)=CC(Br)=C1OC BBL015522 [0,2,0,0,0,0|1,0,1]=4 99 B13R1.434 COC1=CC(C=O)=CC(Cl)=C1OC BBL023115 [0,2,0,0,0,0|1,0,1]=4 100 B13R1.434 COC1=CC(C=O)=CC(I)=C1OC BBL023265 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC BBL023007 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.2200 COC1=C(OC)C=C(C=O)C(C)=C1 BBL025901 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC BBL022913 [0,2,0,0,0,0|1,0,1]=4 104 B13R1.2200 COC1=CC(Cl)=C(C=O)C=C1OC BBL023113 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.2200 COC1=CC(Cl)=C(CN)C=C1OC BBL024671 [0,2,0,0,0,0|1,0,0]=3 106 B13R1.2430 COC1=CC=C(OC)C(C(C)N)=C1 BBL037373 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.2900 CCOC1=C(O)C=C(Br)C(C#N)=C1 BBL039498 [0,2,0,0,0,0|1,0,1]=4 108 B13R1.2900 CCOC1=CC(C=O)=C(Br)C=C1O BBL013977 [0,2,0,0,0,0|1,0,1]=4 109 B13R1.3981 CCOC1=C(O)C(Br)=CC(C#N)=C1 BBL025721 [0,2,0,0,0,0|1,0,1]=4 110 B13R1.3981 CCOC1=C(O)C(Cl)=CC(C=O)=C1 BBL023620 [0,2,0,0,0,0|1,0,1]=4 111 B13R1.3981 CCOC1=C(O)C(I)=CC(C=O)=C1 BBL023556 [0,2,0,0,0,0|1,0,1]=4 112 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O BBL015505 [0,2,0,0,0,0|1,0,1]=4 113 B13R1.425 COC1=CC(C=O)=C(Br)C(Br)=C1O BBL023238 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.433 COC1=CC(C=O)=CC(OC)=C1O BBL023037 [0,2,0,0,0,0|1,0,1]=4 115 B13R1.98 COC1=CC(C(C)(C)C)=C(O)C=C1 BBL027948 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.44 COC(=O)C1=CC=C(CCl)O1 BBL007187 [0,0,1,1,0,0|2,0,0]=4 117 B11R1.44 COC(=O)C1=CC=C(CN)O1 BBL030685 [0,0,1,1,0,0|2,0,0]=4 118 B11R2.36 OC1=CC2=C(C=C1)OCO2 BBL027539 [1,0,0,1,0,0|1,0,0]=3 119 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 BBL028129 [0,1,0,1,0,0|1,0,1]=4 120 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 BBL037355 [0,1,0,1,0,0|0,0,0]=2 121 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 BBL011979 [0,1,0,1,0,0|1,0,1]=4 122 B13R2.57 NCC1=CC2=C(C=C1)OCCC2 BBL034410 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.449 BrCCC1=CC=C2OCCC2=C1 BBL030678 [0,1,0,1,0,0|1,0,0]=3 124 B13R2.449 CCNC1=CC=C2OCOC2=C1 BBL027763 [0,1,0,1,0,0|0,0,0]=2 125 B13R2.449 C\C=C\C1=CC=C2OCOC2=C1 BBL027540 [0,1,0,1,0,0|0,0,1]=3 126 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 BBL012569 [0,1,0,1,0,0|1,0,1]=4 127 B13R2.654 O=CC1=CC(Cl)=C2OCOC2=C1 BBL029179 [0,1,0,1,0,0|1,0,1]=4