0 B13R1.433 COC1=CC(=C(C(=C1)OC)Br)OC PH011157 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.433 COC1=CC(=C(C(=C1)OC)Cl)OC S540455 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.433 COC1=CC(=C(C(=C1)OC)O)OC PH014572 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.433 COC1=CC(=CC(=C1Br)OC)C=O CDS000211 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [1,0,0,0,0,0|1,0,2]=4 5 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [1,0,0,0,0,0|1,0,2]=4 6 B14R1.362 CCC1=CC(=CC(=C1O)CC)C(=O)O PH008933 [0,1,0,0,0,0|2,0,0]=3 7 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)N PH010644 [0,1,0,0,0,0|1,0,0]=2 8 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)O PH011462 [0,1,0,0,0,0|1,0,0]=2 9 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)N S355542 [0,1,0,0,0,0|0,0,0]=1 10 B14R1.362 COC1=CC(=CC(=C1O)OC)[N+](=O)[O-] PH007916 [0,1,0,0,0,0|1,0,0]=2 11 B14R1.563 COC1=CC(=CC(=C1O)C(=O)O)C=O CDS016396 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.3236 COC1=CC(=CC(=C1O)OC)/C=N/O PH010672 [0,1,0,0,0,0|0,0,1]=2 13 B14R1.3236 COC1=CC(=CC(=C1O)OC)CC#N PH010977 [0,1,0,0,0,0|1,0,1]=3 14 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN CDS004542 [0,1,0,0,0,0|1,0,1]=3 15 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN PH019067 [0,1,0,0,0,0|1,0,1]=3 16 B14R2.1101 COC1=C2OCOC2=CC(=C1)CCl PH015292 [0,0,0,1,0,0|1,0,1]=3 17 B14R2.1101 COC1=C2OCOC2=CC(=C1)CO PH015536 [0,0,0,1,0,0|0,0,2]=3 18 B14R2.1101 COC1=CC(=CC2=C1OCO2)C=O CDS014281 [0,0,0,1,0,0|0,0,0]=1 19 B14R2.1101 COC1=CC(=CC2=C1OCO2)CN PH015673 [0,0,0,1,0,0|1,0,1]=3 20 B11R1.9 COC1=CC(=CC(=C1)Cl)C=O CDS022648 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.9 COC1=CC(=CC(=C1)OC)[O-] S860948 [2,0,0,0,0,0|0,0,1]=3 22 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.14 CC1=CC(=CC(=C1F)C)C=O CDS000866 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.14 O=CC1=CC(=C(C(=C1)Cl)O)Cl CDS014555 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.14 O=CC1=CC(=C(C(=C1)F)O)Br CDS024542 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.313 COC1=CC(=NC(=N1)C(=O)O)OC CDS002711 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.313 COC1=CC(C=C(C1)OC)C(=O)O PH008483 [1,1,0,0,0,0|0,0,2]=4 32 B13R1.358 CNCC1=CC(=CC(=C1)OC)OC PH015526 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.358 COC1=CC(=CC(=C1)OC)N=C=S CDS016945 [1,1,0,0,0,0|0,1,1]=4 34 B13R1.302 COC1=CC(=CC(=C1C=O)OC)C PH010583 [1,1,0,0,0,0|0,0,2]=4 35 B13R1.298 COC1=C(C(=CC(=C1)C(=O)C)O)O PH004048 [1,1,0,0,0,0|0,0,0]=2 36 B13R1.298 COC1=CC(=CC(=C1O)Br)C(=O)O L170933 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CDS003720 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.425 COC1=CC(=C(C(=C1O)Cl)Br)C=O CDS004888 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.434 COC1=C(C=C(C=C1C=O)C=O)O L497665 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.437 O=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-] CDS016987 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.3981 C(=O)C1=CC(=C(C(=C1)OCC)O)Br R397814 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.4030 COC1=C(C(=CC(=C1)/C=N/O)Br)O OTV000217 [1,1,0,0,0,0|1,0,1]=4 43 B15R1.378 COC1=CC(=CC(=C1OC)OC)[N+](=O)[O-] S846643 [0,2,0,0,0,0|1,0,0]=3 44 B15R1.383 COC(=O)C1=CC(=C(C(=C1)OC)C)OC PH009819 [0,2,0,0,0,0|1,0,0]=3 45 B15R1.383 COC(=O)C1=CC(=C(C(=C1)OC)O)OC S409448 [0,2,0,0,0,0|0,0,0]=2 46 B15R1.383 COC1=CC(=CC(=C1O)OC)C(=O)NN PH011601 [0,2,0,0,0,0|0,0,0]=2 47 B15R1.688 CC(C)C1=CC(=CC(=C1O)C(C)C)C=O PH000275 [0,2,0,0,0,0|2,0,0]=4 48 B15R1.3705 C/N=C/C1=CC(=C(C(=C1)OC)OC)OC S683167 [0,2,0,0,0,0|1,0,0]=3 49 B15R1.3705 CNCC1=CC(=C(C(=C1)OC)OC)OC PH016713 [0,2,0,0,0,0|1,0,1]=4 50 B15R1.3705 COC1=CC(=CC(=C1OC)OC)/C=N/O PH011616 [0,2,0,0,0,0|0,0,1]=3 51 B15R1.10175 COC1=CC(=C(C(=C1)OC)C(=O)O)OC S446246 [0,2,0,0,0,0|2,0,0]=4 52 B15R1.10175 COC1=CC(=C(C(=C1)OC)C(C)O)OC PH014706 [0,2,0,0,0,0|2,0,0]=4 53 B15R1.390 COC1=CC(=CC(=C1O)OC)CN(C)C PH009594 [0,2,0,0,0,0|1,0,1]=4 54 B13R2.623 COC1=CC(=CC2=C1OCO2)N PH015822 [1,0,0,1,0,0|1,0,0]=3 55 B13R2.654 O=CC1=CC2=C(OCO2)C(=C1)Br CDS011469 [1,0,0,1,0,0|1,0,0]=3 56 B15R2.22662 COC1=CC(=CC2=C1OCO2)C(=O)O PH015670 [0,1,0,1,0,0|0,0,0]=2 57 B15R2.39259 COC1=C2OC=C(C2=CC(=C1)C=O)C PH016858 [0,1,0,1,0,0|1,0,0]=3 58 B15R2.1851 COC1=CC(=CC2=C1OCCO2)CN PH019437 [0,1,0,1,0,0|1,0,1]=4 59 B15R2.1851 COC1=CC(=CC2=C1OCCO2)CO PH014848 [0,1,0,1,0,0|0,0,2]=4 60 B13R1.2422 C(=O)C1=CC=C(C(=C1OC)O)OC S429538 [0,0,0,0,1,1|0,0,0]=2