0 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,0,0,0,0,0|2,2,0]=4 4 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [1,0,0,0,0,0|2,1,0]=4 7 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.1019 CNC1=NC2=C(C=CC=C2)C(=O)O1 PH008463 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.1019 O=C1OC(CC2=C1C=CC=C2)CBr PH016304 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8188 CN1C(=O)OC2=C(C1=O)C=CC=C2 PH009096 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.8235 CC1=CC=C2OC(CC(=O)C2=C1)C PH010434 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.8235 CC1=NC2=C(C=C(C=C2)Br)C(=O)O1 PH006909 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)O1 PH004008 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.8235 O=C1NC2=CC=C(C=C2C(=O)O1)F CDS019993 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.28480 O=C1CC2=C(C(=O)O1)C(=CC=C2)F PH019588 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=O)O1 PH009098 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.29365 O=C1NC2=CC(=CC=C2C(=O)O1)F CDS019634 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.29496 CC1(CC(=O)C2=C(O1)C=CC=C2)C PH009909 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.29496 CC1(NC(=O)C2=CC=CC=C2O1)C PH001950 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.283 CCNC1=CC=CC=C1C(=O)O S668524 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O PH011276 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.283 N#CCC1=CC=CC=C1C(=O)O CDS017971 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [0,0,1,0,0,0|2,0,1]=4 34 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [0,0,1,0,0,0|2,0,0]=3 39 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,0,0,0,1,0|3,0,0]=4 40 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,0,0,0,1,0|2,0,0]=3 41 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,0,0,0,1,0|2,0,1]=4 42 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,0,0,0,1,0|1,1,1]=4 43 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,0,0,0,1,0|2,0,1]=4 44 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [1,0,1,0,0,0|1,1,0]=4 46 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [1,0,1,0,0,0|1,0,0]=3 52 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [1,0,1,0,0,0|2,0,0]=4 56 B13R1.141 CCOC1=CC=C(C=C1C(=O)O)Br L254967 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.141 CCOC1=CC=C(C=C1C(=O)O)Cl L255238 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.547 C/C(=N\O)/C1=C(C=CC=C1)C(=O)O R584746 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.572 C#CCOC1=C(C=CC=C1)C(=O)O KOB0078 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br KOB0156 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.464 CCOC(=O)C1=C(C=CC=C1)OC CDS001205 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.4453 CCOC(=O)C1=C(C=CC=C1C)O CDS004594 [0,1,1,0,0,0|2,0,0]=4 63 B13R2.342 CC1=CC=CC2=C1OCCC2=O PH014564 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.342 O=C1CCOC2=C1C=CC=C2F PH015252 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.4857 CC1OC(=O)C2=C1C=CC=C2O S955914 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2Cl S663077 [0,1,0,0,1,0|1,0,1]=4 68 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)Cl PH011762 [0,1,0,0,1,0|1,0,1]=4 69 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)O PH004941 [0,1,0,0,1,0|1,0,1]=4 70 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 PH004894 [0,2,0,0,0,0|2,0,0]=4 71 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 CDS015304 [0,0,1,1,0,0|1,0,0]=3 72 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [1,0,0,0,1,0|2,0,0]=4 73 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,0,1,0|1,1,0]=4