0 B16R2.1480 CCC1=CC=CC=C1OCC2CCNC2 MCULE-6647158045 [1,0,0,0,0,0|2,0,1]=4 1 B16R2.1480 CCC1=CC=CC=C1OCC2CCNC2 MCULE-9036128280 [1,0,0,0,0,0|2,0,1]=4 2 B16R2.1480 COC1=CC=CC=C1OCC2CCNC2 MCULE-7047816170 [1,0,0,0,0,0|1,0,1]=3 3 B16R2.1480 COC1=CC=CC=C1OCC2CCNC2 MCULE-7723095790 [1,0,0,0,0,0|1,0,1]=3 4 B16R2.11414 CC1=C(C=CC=C1)OCC2CNC(=O)O2 MCULE-8479415279 [1,0,0,0,0,0|0,0,0]=1 5 B18R2.15651 COC1=CC=CC=C1OCC2=CC=C(O2)C=O MCULE-6331917271 [0,1,0,0,0,0|1,0,2]=4 6 B16R1.57 COC1=CC=CC=C1OCCCCC(=O)C MCULE-8438243997 [0,0,1,0,0,0|2,0,0]=3 7 B16R1.1454 COC1=C(C=CC=C1)OCC(=O)NNC=O MCULE-6842603384 [0,0,1,0,0,0|1,0,2]=4 8 B16R1.3910 C=CC(=O)NCCOC1=CC=CC=C1OC MCULE-6167308595 [0,0,1,0,0,0|2,0,1]=4 9 B16R1.3910 CCC(=O)OCC#CC1=CC=CC=C1OC MCULE-9368122690 [0,0,1,0,0,0|2,0,1]=4 10 B16R1.3910 CNC(=O)NCCOC1=C(C=CC=C1)OC MCULE-8849913785 [0,0,1,0,0,0|1,0,0]=2 11 B16R1.3910 COC1=C(C=CC=C1)OCCNC(=O)CCl MCULE-8962031006 [0,0,1,0,0,0|3,0,0]=4 12 B18R3.2942 S=C1NN=C(O1)C2COC3=C(O2)C=CC=C3 MCULE-8388201266 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[0,1,1,0,0,0|2,0,0]=4 26 B17R1.1421 COC1=CC=CC=C1OCC(O)COC(=O)N MCULE-7298838587 [0,1,1,0,0,0|2,0,0]=4 27 B17R1.27037 COC1=C(C=CC=C1)C(=O)CCCCC(=O)O MCULE-8554678468 [0,1,1,0,0,0|2,0,0]=4 28 B17R1.1550 CCNCC(O)COC1=CC=C(C=C1OC)C MCULE-1098659449 [0,1,1,0,0,0|1,0,1]=4 29 B17R1.1843 C=CCNCC(O)COC1=CC=CC=C1OC MCULE-1206429030 [0,1,1,0,0,0|1,0,0]=3 30 B17R1.1843 C=CCNCC(O)COC1=CC=CC=C1OC MCULE-9643572783 [0,1,1,0,0,0|1,0,0]=3 31 B17R2.4343 CCOC1=CC=CC=C1OCC2CCNC2 MCULE-1539225887 [1,1,0,0,0,0|1,0,1]=4 32 B17R2.4343 CCOC1=CC=CC=C1OCC2CCNC2 MCULE-6849785062 [1,1,0,0,0,0|1,0,1]=4 33 B17R2.9549 COC1=C(C=C(C=C1)N)OCC2CCCO2 MCULE-1847093052 [1,1,0,0,0,0|1,0,1]=4 34 B17R2.10450 COC1=CC(=CC=C1OCC2CCNC2)C MCULE-5961251065 [1,1,0,0,0,0|1,0,1]=4 35 B17R2.10450 COC1=CC(=CC=C1OCC2CCNC2)C MCULE-7599955848 [1,1,0,0,0,0|1,0,1]=4 36 B17R2.146246 CC1=CC=CC(=C1OCC2CNC(=O)O2)C MCULE-2884473989 [1,1,0,0,0,0|0,0,0]=2 37 B17R2.12567 COC1=C(C=CC=C1)OCC2CC2C(=O)O MCULE-9066296698 [0,0,1,1,0,0|2,0,0]=4 38 B17R2.18967 CC(=O)NC(C)C1COC2=C(O1)C=CC=C2 MCULE-4692885883 [0,0,1,1,0,0|2,0,0]=4 39 B17R2.5669 O=C(O)CNCC1COC2=C(O1)C=CC=C2 MCULE-8204961436 [0,0,1,1,0,0|2,0,0]=4 40 B17R2.5669 O=C(O)CNCC1COC2=CC=CC=C2O1 MCULE-4703620770 [0,0,1,1,0,0|2,0,0]=4 41 B17R2.5669 O=C(O)COCC1COC2=C(O1)C=CC=C2 MCULE-7496890844 [0,0,1,1,0,0|2,0,0]=4 42 B17R2.5669 O=C(O)COCC1COC2=CC=CC=C2O1 MCULE-6803718590 [0,0,1,1,0,0|2,0,0]=4 43 B17R2.8843 COC1=C(C=CC=C1)N2CC(CC2=O)CN MCULE-2963965302 [0,0,1,1,0,0|2,0,0]=4 44 B17R2.556 CCC(=O)NCC1COC2=CC=CC=C2O1 MCULE-5923708844 [0,0,1,1,0,0|2,0,0]=4 45 B17R2.556 CNC(=S)NCC1COC2=CC=CC=C2O1 MCULE-5096278973 [0,0,1,1,0,0|1,1,0]=4 46 B17R2.63265 COC(=O)CC1COC2=C(C=CC=C12)OC MCULE-3280151019 [0,0,1,1,0,0|2,0,0]=4 47 B15R1.1145 COC1=C(C=CC=C1)CC(C)CC(=O)O MCULE-1027505660 [0,0,1,0,1,0|2,0,0]=4 48 B15R1.85 COC(=O)NCCC1=CC=CC=C1OC MCULE-1892376732 [0,0,1,0,1,0|2,0,0]=4 49 B15R2.123 COC1=C(C=CC=C1)CC2CCNC2 MCULE-3488490396 [1,0,0,0,1,0|1,0,1]=4 50 B15R2.123 COC1=C(C=CC=C1)O[C@@H]2CCNC2 MCULE-6684428363 [1,0,0,0,1,0|1,0,1]=4 51 B15R2.123 COC1=C(C=CC=C1)O[C@@H]2CCNC2 MCULE-8823810806 [1,0,0,0,1,0|1,0,1]=4 52 B15R2.123 COC1=CC=CC=C1CC2CCNC2 MCULE-2837825240 [1,0,0,0,1,0|1,0,1]=4 53 B15R2.123 COC1=CC=CC=C1OC2CCNC2 MCULE-6042106293 [1,0,0,0,1,0|1,0,1]=4 54 B15R2.123 COC1=CC=CC=C1OC2CCNC2 MCULE-9809965100 [1,0,0,0,1,0|1,0,1]=4 55 B15R2.123 COC1=CC=CC=C1O[C@H]2CCNC2 MCULE-3123667826 [1,0,0,0,1,0|1,0,1]=4 56 B15R2.305 O=C1NCC(O1)CN2C=CC=CC2=O MCULE-3952700905 [1,0,0,0,1,0|1,0,1]=4 57 B15R2.2189 COC1=CC=CC=C1C2=NNC(=O)O2 MCULE-4816010252 [0,0,0,0,2,0|1,0,1]=4 58 B15R2.2189 COC1=CC=CC=C1C2CCC(=O)C2 MCULE-6097782637 [0,0,0,0,2,0|2,0,0]=4 59 B15R2.2189 COC1=CC=CC=C1C2CNC(=O)C2 MCULE-1546205214 [0,0,0,0,2,0|1,0,0]=3 60 B15R2.2189 COC1=CC=CC=C1[C@@H]2CNC(=O)N2 MCULE-8387096649 [0,0,0,0,2,0|1,0,0]=3 61 B15R2.2189 COC1=CC=CC=C1[C@@H]2COC(=O)N2 MCULE-1132998703 [0,0,0,0,2,0|2,0,0]=4 62 B15R2.2189 COC1=CC=CC=C1[C@@H]2COC(=O)N2 MCULE-6295209675 [0,0,0,0,2,0|2,0,0]=4 63 B15R2.2189 COC1=CC=CC=C1[C@H]2CNC(=O)N2 MCULE-4923013369 [0,0,0,0,2,0|1,0,0]=3 64 B15R2.2189 COC1=CC=CC=C1[C@H]2COC(=O)N2 MCULE-1600229394 [0,0,0,0,2,0|2,0,0]=4 65 B15R2.2189 COC1=CC=CC=C1[C@H]2COC(=O)N2 MCULE-5814046392 [0,0,0,0,2,0|2,0,0]=4 66 B15R2.2300 COC1=C(C=CC=C1)OCC2CC2N MCULE-8658147123 [0,0,0,0,2,0|1,0,1]=4 67 B17R1.1419 COC1=C(C=CC=C1)OCC#CCNC(=O)C MCULE-9074825817 [0,0,1,0,0,1|1,0,1]=4 68 B17R2.2739 COC1=CC=CC=C1COCC2CCNC2 MCULE-5035332733 [1,0,0,0,0,1|1,0,1]=4 69 B17R2.2739 COC1=CC=CC=C1COCC2CCNC2 MCULE-9952896669 [1,0,0,0,0,1|1,0,1]=4