0 B15R1.640 CCCC(=O)C(=CC1=CC=CC=C1)CC S36154 [1,0,0,0,0,0|1,0,1]=3 1 B15R1.640 CCOC(=O)/C(=C\C1=CC=NC=C1)/C#N EME00463 [1,0,0,0,0,0|2,0,1]=4 2 B15R1.4686 COC(=O)C(CC1=CC=CC=C1)C(=O)N R278831 [1,0,0,0,0,0|1,0,2]=4 3 B17R2.50008 CCOC(=O)C1=C(OC2=C(O1)C=CC=C2)C S408522 [0,0,0,1,0,0|1,0,1]=3 4 B17R2.50008 CCOC(=O)C1=CC2=C(C=CC=C2)C=C1O PH009815 [0,0,0,1,0,0|0,0,2]=3 5 B17R2.50008 CCOC(=O)C1=CC2=C(C=CC=C2)N=C1C BBO000007 [0,0,0,1,0,0|1,0,0]=2 6 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2N=C1N CDS017769 [0,0,0,1,0,0|2,0,0]=3 7 B17R2.50008 CCOC(=O)C1=CC2=CC=CN=C2NC1=O ADE000832 [0,0,0,1,0,0|2,0,0]=3 8 B17R2.50008 CCOC(=O)C1=NC2=C(C=CC=C2)N=C1Cl KOB0071 [0,0,0,1,0,0|3,0,0]=4 9 B17R2.50008 CCOC(=O)C1=NC2=CC=CC=C2NC1=O T144339 [0,0,0,1,0,0|2,0,0]=3 10 B17R2.50008 CCOC(=O)C1SC2=CC=CC=C2NC1=O PH006798 [0,0,0,1,0,0|2,0,1]=4 11 B15R1.9922 CCOC(=O)C(C(=O)O)C1=CC=CC=C1 S799742 [0,0,0,0,1,0|1,0,1]=3 12 B17R1.5402 CCOC(=O)C(N=NC1=CC=CC=C1)C(=O)C S349526 [0,0,0,0,0,1|1,0,1]=3 13 B17R1.5402 CCOC(=O)N(CCC1=CC=CC=C1)C(=O)C S519871 [0,0,0,0,0,1|1,0,1]=3 14 B17R1.18492 CCOC(=O)/C(=C\C1=CC=CC=C1)/CC(=O)O R174718 [0,0,0,0,0,1|1,0,0]=2 15 B17R1.18492 CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C S451371 [0,0,0,0,0,1|0,0,2]=3 16 B14R1.60 CCOC(=O)C(=O)NC1=CC=NC=C1 PH010474 [2,0,0,0,0,0|2,0,0]=4 17 B14R1.60 CCOC(=O)C(C)SC1=CC=CC=C1 S799912 [2,0,0,0,0,0|1,0,1]=4 18 B14R1.1031 COC(=O)C(=CC1=CC=CC=C1)C#N S352764 [2,0,0,0,0,0|1,0,1]=4 19 B14R1.4513 CC(=O)C(=CC1=CC=CC=C1)C(=O)C S620335 [2,0,0,0,0,0|0,0,0]=2 20 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CBR02262 [2,0,0,0,0,0|0,0,2]=4 21 B16R1.743 CCOC(=O)/C(=C/C1=CC=C(C=C1)Br)/C#N R433985 [1,1,0,0,0,0|1,0,1]=4 22 B16R1.743 CCOC(=O)/C(=C/C1=CC=C(C=C1)C)/C#N S661007 [1,1,0,0,0,0|1,0,1]=4 23 B16R1.744 CCOC(=O)/C(=C/C1=CC(=CC=C1)O)/C#N PH004476 [1,1,0,0,0,0|1,0,1]=4 24 B16R1.744 CCOC(=O)/C(=C\C1=CC=CC(=C1)Br)/C#N R434019 [1,1,0,0,0,0|1,0,1]=4 25 B16R1.951 CCOC(=O)/C(=C(/C)\C1=CC=CC=C1)/C#N S36049 [1,1,0,0,0,0|1,0,1]=4 26 B16R1.951 CCOC(=O)/C(=N\O)/C(=O)C1=CC=CC=C1 S17753 [1,1,0,0,0,0|1,0,1]=4 27 B16R1.15117 CCOC(=O)/C(=C/C1=C(C=CC=C1)Br)/C#N T118222 [1,1,0,0,0,0|1,0,1]=4 28 B16R1.15117 CCOC(=O)/C(=C/C1=CC=CC=C1Cl)/C#N S931330 [1,1,0,0,0,0|1,0,1]=4 29 B16R1.5823 COC(=O)C(=CC1=CC=CC=C1)C(=O)OC S545481 [1,1,0,0,0,0|0,0,0]=2 30 B16R1.16687 COC(=O)/C(=C\C1=CC=C(C=C1)Cl)/C(=O)C R901539 [1,1,0,0,0,0|0,0,0]=2 31 B16R1.14040 CCOC(=O)C(C(=O)N)C1=CC=C(C=C1)Cl PH007583 [0,1,0,0,1,0|1,0,1]=4 32 B16R1.14051 CCOC(=O)N(C1=CC=CC=C1)S(=O)(=O)C S857580 [0,1,0,0,1,0|2,0,0]=4 33 B18R1.5664 CCOC(=O)/C(=N\NC1=CC=CC=C1)/C(=O)CBr S169773 [0,1,0,0,0,1|1,0,0]=3 34 B18R1.5667 CCOC(=O)/C(=N/NC1=C(C=CC=C1)Cl)/C(=O)C S169889 [0,1,0,0,0,1|1,0,0]=3 35 B18R1.25485 CCOC(=O)/C(=N/NC1=CC=C(C=C1)Cl)/C(=O)C S46214 [0,1,0,0,0,1|1,0,0]=3 36 B18R1.30119 CCOC(=O)C(C(=O)C)C(=O)NC1=CC=CC=C1 PH008251 [0,1,0,0,0,1|0,0,1]=3 37 B18R1.24220 CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCl PH005752 [0,1,0,0,0,1|0,0,2]=4 38 B18R1.28793 CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C S765856 [0,1,0,0,0,1|0,0,2]=4 39 B18R1.28793 CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C S783609 [0,1,0,0,0,1|0,0,2]=4 40 B18R1.24221 CCOC(=O)C(OC1=CC=CC=C1)C(=O)OCC PH005982 [0,2,0,0,0,0|1,0,1]=4 41 B18R1.195276 CCOC(=O)C(CC1=CC=C(C=C1Cl)Cl)C(=O)C PH005174 [0,2,0,0,0,0|0,0,2]=4 42 B18R1.24233 CCOC(=O)/C(=C/C1=CC=C(C=C1)OC)/C(=O)C S765619 [0,2,0,0,0,0|0,0,0]=2 43 B16R2.64 CCOC1=NC2=CC=CC=C2C=C1C=O CDS006749 [1,0,0,1,0,0|1,0,0]=3 44 B16R2.312 CC1CC/C(=C/C2=CC=CC=C2)/C(=O)C1 S846295 [1,0,0,1,0,0|1,0,1]=4 45 B16R2.757 CCOC(=O)C1=C(C2=CC=CC=C2N1)Cl PH010668 [1,0,0,1,0,0|2,0,0]=4 46 B16R2.757 CCOC(=O)C1OC2=C(C1=O)C=CC=C2 T149926 [1,0,0,1,0,0|1,0,1]=4 47 B16R2.757 N1C2=CC=CC=C2C(=C1C(=O)OCC)C ANV00255 [1,0,0,1,0,0|1,0,0]=3 48 B16R2.767 CCOC(=O)C1=CC2=C(C=CC=C2)C=C1 S561487 [1,0,0,1,0,0|0,0,1]=3 49 B16R2.767 CCOC(=O)C1=COC2=CC=CC=C2O1 PH010258 [1,0,0,1,0,0|1,0,1]=4 50 B16R2.33941 COC(=O)C1=CC2=C(C=CC=C2)C=C1N CDS021976 [1,0,0,1,0,0|1,0,1]=4 51 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2OC1=O PH002097 [1,0,0,1,0,0|1,0,0]=3 52 B16R2.29842 CCOC(=O)C1=C(NC2=CC=CC=C12)N PH000350 [0,0,0,1,1,0|2,0,0]=4 53 B16R2.29842 CCOC(=O)C1C(=O)CC2=C1C=CC=C2 PH008390 [0,0,0,1,1,0|0,0,1]=3 54 B16R2.29842 CCOC(=O)N1C(=O)OC2=C1C=CC=C2 S815438 [0,0,0,1,1,0|2,0,0]=4 55 B16R2.29842 CCOC(=O)N1C(=O)SC2=C1C=CC=C2 R241008 [0,0,0,1,1,0|2,0,0]=4 56 B18R2.8107 CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N L499048 [0,0,0,1,0,1|1,0,1]=4 57 B18R2.8107 CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N R110450 [0,0,0,1,0,1|1,1,0]=4 58 B18R2.66773 C(=C/1\C(=C(C)C)C(=O)NC1C)\C2=CC=CC=C2 T178551 [0,0,0,1,0,1|2,0,0]=4 59 B18R2.66773 C(=C\1/C(=C(C)C)C(=O)NC1C)\C2=CC=CC=C2 T178543 [0,0,0,1,0,1|2,0,0]=4 60 B18R2.230 CCOC(=O)C1=C(OC(=N1)N)C2=CC=CC=C2 PH015897 [0,0,0,1,0,1|1,0,1]=4 61 B18R2.82137 CCOC(=O)C1=CC2=C(C=CC=C2)NC(=O)C1 PH000800 [0,0,0,1,0,1|1,0,0]=3 62 B18R2.81880 CCOC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O PH011714 [0,1,0,1,0,0|1,0,0]=3 63 B18R2.81880 CCOC(=O)C1=CC2=CC(=CC=C2N=C1C)Br BBO000199 [0,1,0,1,0,0|1,0,0]=3 64 B18R2.81880 CCOC(=O)C1=CC2=CC(=CC=C2N=C1C)Cl BBO000203 [0,1,0,1,0,0|1,0,0]=3 65 B18R2.81880 CCOC(=O)C1=CC2=CC(=CC=C2N=C1C)F BBO000209 [0,1,0,1,0,0|1,0,0]=3 66 B18R2.82072 CCOC(=O)C1=CC2=CC=CC(=C2N=C1C)C BBO000101 [0,1,0,1,0,0|1,0,0]=3 67 B18R2.80684 CCOC(=O)C1=C(ON=C1C2=CC=CC=C2)C JRD0524 [0,1,0,1,0,0|0,0,1]=3 68 B18R2.80684 N1CC(C(C1=O)C(=O)OCC)C2=CC=CC=C2 S761796 [0,1,0,1,0,0|0,0,2]=4 69 B18R2.631601 CCOC(=O)C1=CC2=C(C=CC=C2NC1=O)Cl CVT00132 [0,1,0,1,0,0|1,0,0]=3 70 B18R2.82229 CCOC(=O)C1=C(C2=C(S1(=O)=O)C=CC=C2)O PH005950 [0,1,0,1,0,0|2,0,0]=4 71 B18R2.82315 CCOC(=O)C1=C(C2=CC=CC=C2OC1=O)O PH010374 [0,1,0,1,0,0|1,0,0]=3 72 B18R2.81826 CCOC(=O)C1=CC2=C(C=C(C=C2)Cl)N=C1C BBO000004 [0,1,0,1,0,0|1,0,0]=3 73 B18R2.81826 CCOC(=O)C1=CC2=CC=C(C=C2N=C1C)Br BBO000213 [0,1,0,1,0,0|1,0,0]=3 74 B18R2.81826 CCOC(=O)C1=CC2=CC=C(C=C2N=C1C)C BBO000041 [0,1,0,1,0,0|1,0,0]=3 75 B18R2.60309 CC1(CC(=O)C(=CC2=CC=CC=C2)C(=O)C1)C R129135 [0,1,0,1,0,0|1,0,0]=3 76 B14R1.604 CCOC(=O)C(CC)C1=CC=CC=C1 S361879 [1,0,0,0,1,0|0,0,2]=4 77 B14R1.604 CCOC(=O)N(OC)C1=CC=CC=C1 S857513 [1,0,0,0,1,0|2,0,0]=4 78 B16R1.5825 COC(=O)C(CC1=CC=CC=C1)NC(=O)C S765864 [1,0,0,0,0,1|0,0,2]=4 79 B18R1.5636 CCOC(=O)CN(CC(=O)C)CC1=CC=CC=C1 PH008367 [0,0,0,0,0,2|1,0,1]=4