0 B28R3.561256857 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3)Br)CCC(=O)O MCULE-8791498565 [0,0,0,0,0,0|1,0,0]=1 1 B28R3.561256857 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3)Cl)CCC(=O)O MCULE-1219406886 [0,0,0,0,0,0|1,0,0]=1 2 B28R3.561256857 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3)Cl)CCC(C)C MCULE-8152944293 [0,0,0,0,0,0|3,0,1]=4 3 B28R3.561256857 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3)F)CCC(=O)O MCULE-7783837620 [0,0,0,0,0,0|1,0,0]=1 4 B28R3.561256857 CC1=CC=C(C=C1)COC2=CC=C3C(=C2)OC(=O)C(=C3C)CCC(=O)O MCULE-8077285887 [0,0,0,0,0,0|0,0,0]=0 5 B27R3.4381644 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC=C3)CCC(=O)O MCULE-2426248504 [1,0,0,0,0,0|0,0,0]=1 6 B27R3.357898870 CCCCC1=C(C2=CC=C(C=C2OC1=O)OCC3=CC=C(C=C3)Cl)C MCULE-3523175988 [1,0,0,0,0,0|2,0,1]=4 7 B29R3.232398394 COC1=CC=C(C=C1)COC2=CC=C3C(=C2)OC(=O)C(=C3C)CCC(=O)O MCULE-6043655456 [0,1,0,0,0,0|0,0,0]=1 8 B29R3.3202579437 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3Cl)Cl)CCC(=O)O MCULE-5205533231 [0,1,0,0,0,0|1,0,0]=2 9 B29R3.3202579437 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3Cl)F)CCC(=O)O MCULE-9843897306 [0,1,0,0,0,0|1,0,0]=2 10 B29R3.3202579437 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3F)Br)CCC(=O)O MCULE-1860393685 [0,1,0,0,0,0|1,0,0]=2 11 B29R3.3202579437 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3F)F)CCC(=O)O MCULE-3142030352 [0,1,0,0,0,0|1,0,0]=2 12 B29R3.5326640496 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C(=C3)Cl)Cl)CCC(=O)O MCULE-8590302703 [0,1,0,0,0,0|1,0,0]=2 13 B29R3.5342731012 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3)Br)C)CCC(=O)O MCULE-6587154596 [0,1,0,0,0,0|1,0,0]=2 14 B29R3.5342731012 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3)Cl)C)CCC(=O)O MCULE-8701059266 [0,1,0,0,0,0|1,0,0]=2 15 B29R3.5342731012 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3)F)C)CCC(=O)O MCULE-7061147496 [0,1,0,0,0,0|1,0,0]=2 16 B29R3.5342731012 CC1=CC=C(C=C1)COC2=CC=C3C(=C(C(=O)OC3=C2C)CCC(=O)O)C MCULE-5391153223 [0,1,0,0,0,0|0,0,0]=1 17 B27R3.370674649 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3)Br)CC(=O)O MCULE-1999484092 [0,0,0,0,1,0|1,0,0]=2 18 B27R3.370674649 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3)Cl)CC(=O)O MCULE-9988912297 [0,0,0,0,1,0|1,0,0]=2 19 B27R3.370674649 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3)F)CC(=O)O MCULE-3860164800 [0,0,0,0,1,0|1,0,0]=2 20 B27R3.370674649 CC1=CC=C(C=C1)COC2=CC=C3C(=C2)OC(=O)C(=C3C)CC(=O)O MCULE-8787639813 [0,0,0,0,1,0|0,0,0]=1 21 B26R3.50774111 CCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1=O)C MCULE-1089089543 [2,0,0,0,0,0|1,0,1]=4 22 B26R3.219143656 CCCC1=C(C2=C(C=C(C=C2)OCC3=CC=C(C=C3)Cl)OC1=O)C MCULE-7164343123 [2,0,0,0,0,0|1,0,1]=4 23 B26R3.219143656 CCCC1=C(C2=C(C=C(C=C2)OCC3=CC=C(C=C3)F)OC1=O)C MCULE-8374474683 [2,0,0,0,0,0|1,0,1]=4 24 B28R3.293003576 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=CC=C3)C)CCC(=O)O MCULE-5448414574 [1,1,0,0,0,0|0,0,0]=2 25 B28R3.2039721666 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC=C3Br)CCC(=O)O MCULE-4568904772 [1,1,0,0,0,0|0,0,0]=2 26 B28R3.2039721666 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC=C3Cl)CCC(=O)O MCULE-6405677713 [1,1,0,0,0,0|0,0,0]=2 27 B28R3.2039721666 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC=C3F)CCC(=O)O MCULE-7662914685 [1,1,0,0,0,0|0,0,0]=2 28 B28R3.2039721666 CC1=CC=CC=C1COC2=CC=C3C(=C2)OC(=O)C(=C3C)CCC(=O)O MCULE-9667498186 [1,1,0,0,0,0|0,0,0]=2 29 B28R3.2251230483 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC(=C3)Br)CCC(=O)O MCULE-2249641630 [1,1,0,0,0,0|0,0,0]=2 30 B28R3.2251230483 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC(=C3)Cl)CCC(=O)O MCULE-1522066121 [1,1,0,0,0,0|0,0,0]=2 31 B28R3.2251230483 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC(=C3)F)CCC(=O)O MCULE-1959835389 [1,1,0,0,0,0|0,0,0]=2 32 B28R3.2251230483 CC1=CC(=CC=C1)COC2=CC=C3C(=C2)OC(=O)C(=C3C)CCC(=O)O MCULE-4366181557 [1,1,0,0,0,0|0,0,0]=2 33 B28R3.540983709 CCCCC1=C(C2=CC=C(C=C2OC1=O)OCC3=CC=C(C=C3)OC)C MCULE-5660114795 [1,1,0,0,0,0|1,0,1]=4 34 B28R3.281908882 COC1=CC=C(C=C1)COC2=CC=C3C(=C2)OC(=O)C(=C3C)CC(=O)O MCULE-2615590407 [0,1,0,0,1,0|0,0,0]=2 35 B28R3.561256851 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3)Br)C)CC(=O)O MCULE-1710833725 [0,1,0,0,1,0|1,0,0]=3 36 B28R3.561256851 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3)Cl)C)CC(=O)O MCULE-5518944028 [0,1,0,0,1,0|1,0,0]=3 37 B28R3.561256851 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3)F)C)CC(=O)O MCULE-7662068796 [0,1,0,0,1,0|1,0,0]=3 38 B28R3.561256851 CC1=CC=C(C=C1)COC2=CC=C3C(=C(C(=O)OC3=C2C)CC(=O)O)C MCULE-8870988764 [0,1,0,0,1,0|0,0,0]=2 39 B28R3.1032208925 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC(=C(C=C3)Cl)Cl)CC(=O)O MCULE-5567882519 [0,1,0,0,1,0|1,0,0]=3 40 B28R3.1929982413 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3Cl)Cl)CC(=O)O MCULE-4399484499 [0,1,0,0,1,0|1,0,0]=3 41 B28R3.1929982413 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3Cl)F)CC(=O)O MCULE-5263928146 [0,1,0,0,1,0|1,0,0]=3 42 B28R3.1929982413 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3F)Br)CC(=O)O MCULE-2295976157 [0,1,0,0,1,0|1,0,0]=3 43 B28R3.1929982413 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3F)F)CC(=O)O MCULE-9590109115 [0,1,0,0,1,0|1,0,0]=3 44 B30R3.346722255 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=C(C=C3)C(=O)O)CCC(=O)O MCULE-3020082560 [0,2,0,0,0,0|0,0,1]=3 45 B30R3.9249204559 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3Cl)Cl)C)CCC(=O)O MCULE-4925536546 [0,2,0,0,0,0|1,0,0]=3 46 B30R3.9249204559 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3Cl)F)C)CCC(=O)O MCULE-7720448655 [0,2,0,0,0,0|1,0,0]=3 47 B30R3.9249204559 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3F)Br)C)CCC(=O)O MCULE-7889618116 [0,2,0,0,0,0|1,0,0]=3 48 B30R3.9249204559 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C=C3F)F)C)CCC(=O)O MCULE-7866525551 [0,2,0,0,0,0|1,0,0]=3 49 B30R3.12097594780 CC1=C(C(=O)OC2=C(C(=CC=C12)OCC3=CC=C(C(=C3)Cl)Cl)C)CCC(=O)O MCULE-3644796362 [0,2,0,0,0,0|1,0,0]=3 50 B30R3.2219470119 CCOC(=O)CCC1=C(C2=CC=C(C=C2OC1=O)OCC3=CC=C(C=C3)Br)C MCULE-1266462390 [0,2,0,0,0,0|1,0,0]=3 51 B30R3.2219470119 CCOC(=O)CCC1=C(C2=CC=C(C=C2OC1=O)OCC3=CC=C(C=C3)C)C MCULE-6533897034 [0,2,0,0,0,0|0,0,0]=2 52 B30R3.2219470119 CCOC(=O)CCC1=C(C2=CC=C(C=C2OC1=O)OCC3=CC=C(C=C3)Cl)C MCULE-2932516338 [0,2,0,0,0,0|1,0,0]=3 53 B30R3.2219470119 CCOC(=O)CCC1=C(C2=CC=C(C=C2OC1=O)OCC3=CC=C(C=C3)F)C MCULE-9619388007 [0,2,0,0,0,0|1,0,0]=3 54 B30R4.139986408 CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Br)CCC(=O)O MCULE-1391982058 [0,0,0,1,0,1|1,0,1]=4 55 B30R4.139986408 CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Cl)CCC(=O)O MCULE-6318065284 [0,0,0,1,0,1|1,0,1]=4 56 B30R4.139986408 CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)F)CCC(=O)O MCULE-6753680592 [0,0,0,1,0,1|1,0,1]=4 57 B30R4.139986408 CC1=CC=C(C=C1)C2=COC3=C2C=C4C(=C3)OC(=O)C(=C4C)CCC(=O)O MCULE-3323662379 [0,0,0,1,0,1|0,0,1]=3 58 B26R3.4007219 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC=C3)CC(=O)O MCULE-3031072204 [1,0,0,0,1,0|0,0,0]=2 59 B26R3.4007219 CC1=C(C(=O)OC2=CC(=CC=C12)OCC3=CC=CC=C3)CC(C)O MCULE-9702652585 [1,0,0,0,1,0|1,0,1]=4