0 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCN PI-47088 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCO PI-43203 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 PI-44477 [0,0,0,0,0,0|0,0,2]=2 3 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 PI-42736 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.156 O=C(OCC1=CC=CC=C1)NCCBr PI-37289 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [1,0,0,0,0,0|2,0,1]=4 11 B15R1.78 NCCCNC(OCC1=CC=CC=C1)=O PI-39636 [0,1,0,0,0,0|2,0,1]=4 12 B15R2.38 C1CCC(=O)C(=CC2=CC=CC=C2)C1 PI-14178 [0,0,0,1,0,0|1,0,0]=2 13 B15R2.38 C1CCC(=O)C(C1)CC2=CC=CC=C2 PI-28898 [0,0,0,1,0,0|1,0,2]=4 14 B15R2.352 C#CCOC1=CC=C2C=CC=CC2=C1 PI-40759 [0,0,0,1,0,0|1,0,2]=4 15 B15R2.352 C1=CC=C2C=C(C=CC2=C1)OCCO PI-18981 [0,0,0,1,0,0|2,0,0]=3 16 B15R2.352 CCCOC1=CC2=CC=CC=C2C=C1 PI-18294 [0,0,0,1,0,0|1,0,0]=2 17 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 PI-50438 [0,0,0,0,1,0|0,0,3]=4 18 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [2,0,0,0,0,0|0,0,2]=4 19 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [2,0,0,0,0,0|1,0,1]=4 20 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 PI-22099 [1,1,0,0,0,0|1,0,1]=4 21 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 PI-36978 [1,1,0,0,0,0|0,0,1]=3 22 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 PI-31836 [1,1,0,0,0,0|0,0,2]=4 23 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 PI-31837 [1,1,0,0,0,0|0,0,2]=4 24 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)Cl PI-50553 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [1,1,0,0,0,0|0,0,2]=4 26 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C PI-32828 [1,1,0,0,0,0|0,0,0]=2 27 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)N PI-31211 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [1,1,0,0,0,0|1,0,1]=4 29 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)F PI-38867 [1,1,0,0,0,0|0,0,0]=2 31 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 PI-23173 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 PI-23487 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.598 CCOC(=O)COc1ccccc1C PI-29982 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 PI-19023 [0,1,0,0,1,0|0,0,1]=3 35 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2CCBr PI-18164 [1,0,0,1,0,0|2,0,0]=4 36 B14R2.7150 C1=CC=CC2=CC=CC(=C12)CCO PI-25835 [1,0,0,1,0,0|2,0,0]=4 37 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 PI-12669 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 PI-16005 [1,0,0,1,0,0|2,0,0]=4 39 B14R2.112 C1=CC=C2C=C(C=CC2=C1)CCO PI-25172 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.598 C1=CC=C(C=C1)C2=CC(=O)OC2=O PI-17953 [1,0,0,1,0,0|1,0,1]=4 41 B14R2.67 CCCCC1=CC2=CC=CC=C2O1 PI-22725 [0,0,0,1,1,0|1,0,1]=4 42 B16R2.2441 CCCCOc1ccc2c(c1)cccc2 PI-18069 [0,1,0,1,0,0|1,0,0]=3 43 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,0,0,0,1,0|0,0,1]=3 44 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [1,0,0,0,1,0|1,0,1]=4 45 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [1,0,0,0,1,0|1,0,1]=4 46 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [1,0,0,0,1,0|1,0,0]=3 47 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [0,0,0,0,2,0|0,0,2]=4 48 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [0,0,0,0,2,0|1,0,0]=3 49 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [0,0,0,0,2,0|0,0,0]=2