0 B10R1.172 COC1=CC(CO)=CC=C1 C03352 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.2 CC1=CC=CC(C=O)=C1 C07209 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.2 CC1=CC=CC(CO)=C1 C07216 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.2 CCC1=CC(O)=CC=C1 C14386 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.2 CCC1=CC=CC(C)=C1 C14522 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.2 O=CC1=CC=CC(O)=C1 C03067 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 OCC1=CC=CC(O)=C1 C03351 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 ONC1=CC(O)=CC=C1 C14602 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.267 CCC1=CC=CC(CC)=C1N C11001 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.267 COC1=CC=CC(OC)=C1O C10787 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.280 C=CC1=CC=C(O)C(OC)=C1 C17883 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.280 COC1=C(O)C=CC(C=O)=C1 C00755 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.280 COC1=C(O)C=CC(CN)=C1 C16666 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.280 COC1=CC(CO)=CC=C1O C06317 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|1,0,1]=4 15 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|1,0,1]=4 16 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|1,0,1]=4 17 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|1,0,1]=4 18 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|1,0,0]=3 19 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 20 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|0,0,0]=2 21 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.4 CC1=CC(O)=CC=C1 C01467 [2,0,0,0,0,0|0,0,0]=2 33 B8R1.4 CC1=CC=CC(C)=C1 C07208 [2,0,0,0,0,0|0,0,0]=2 34 B8R1.4 ClC1=CC=CC(Cl)=C1 C19397 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.4 NC1=CC(F)=CC=C1 C11013 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.4 NC1=CC(O)=CC=C1 C05058 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.4 NC1=CC=CC(N)=C1 C02454 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.4 OC1=CC=CC(Cl)=C1 C14270 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.4 OC1=CC=CC(O)=C1 C01751 [2,0,0,0,0,0|0,0,0]=2 40 B8R1.4 OC1=CC=CC(O)=N1 C03056 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.2 C=CC1=CC=CC(O)=C1O C07085 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.2 CC1=C(O)C(C=O)=CC=C1 C14087 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.2 CCC1=CC=CC(O)=C1O C06728 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.2 COC1=CC=CC(I)=C1O C12251 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.30 O=CC1=C(O)C=CC(O)=C1 C05585 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.30 OCC1=CC(O)=CC=C1O C10792 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.113 CC1=CC([N+](=O)[O-])=CC=C1 C19486 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 CC1=CC=CC(C(=O)O)=C1 C07211 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.113 O=C(O)C1=CC(O)=CC=C1 C00587 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 C14418 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.176 C=CC1=CC=C(O)C(O)=C1 C06224 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.176 CC1=C(O)C=CC(C=O)=C1 C21166 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.176 COC1=CC(C)=C(N)C=C1 C19376 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.176 O=CC1=CC(O)=C(O)C=C1 C16700 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.176 OCC1=CC=C(O)C(O)=C1 C14110 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.235 COC1=CC(=O)C=C(OC)C1=O C10331 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 C02363 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 C10453 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.286 C=C\C=C1/C=CC(=O)C(OC)=C1 C20269 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.286 COC1=CC(CC=O)=CC=C1O C05581 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.286 COC1=CC(CCN)=CC=C1O C05587 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.286 C\C=C\C1=CC=C(O)C(OC)=C1 C10469 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 C06672 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 C11380 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 C17386 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.440 COC1=C(N)C(C(=O)O)=CC=C1 C05831 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 C02201 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.78 COC1=C(OC)C=C(CO)C=C1 C21420 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.78 COC1=C(OC)C=C(C[O])C=C1 C21421 [0,2,0,0,0,0|2,0,0]=4 70 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 C10812 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.3 CCC1=CC=C(CC)C=C1 C14583 [0,0,0,0,1,1|2,0,0]=4 72 B10R1.3 COC1=CC=C(C=O)C=C1 C10761 [0,0,0,0,1,1|2,0,0]=4