0 B26R3.53831368 CC(=O)CC(C1=CC=C(C=C1)Br)C2=C(C3=C(C=CC=C3)OC2=O)O MCULE-8224899323 [0,0,0,0,0,0|1,0,2]=3 1 B26R3.53831368 CC(=O)CC(C1=CC=C(C=C1)Cl)C2=C(C3=C(C=CC=C3)OC2=O)O MCULE-2783988823 [0,0,0,0,0,0|1,0,2]=3 2 B26R3.53831368 CC(=O)CC(C1=CC=C(C=C1)Cl)C2=C(C3=C(C=CC=C3)OC2=O)[O-] MCULE-2503120894 [0,0,0,0,0,0|1,0,2]=3 3 B26R3.53831368 CC(=O)CC(C1=CC=C(C=C1)O)C2=C(C3=C(C=CC=C3)OC2=O)O MCULE-1773092339 [0,0,0,0,0,0|0,0,2]=2 4 B26R3.53831368 CC(=O)CC(C1=CC=C(C=C1)O)C2=C(C3=C(C=CC=C3)OC2=O)[O-] MCULE-6609756461 [0,0,0,0,0,0|0,0,2]=2 5 B26R3.53831368 CC(=O)C[C@H](C1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3OC2=O)O MCULE-1680797690 [0,0,0,0,0,0|1,0,2]=3 6 B26R3.53831368 CC(=O)C[C@H](C1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3OC2=O)O MCULE-5192571008 [0,0,0,0,0,0|1,0,2]=3 7 B26R3.53831368 O=C(O)CC(C1=CC=C(C=C1)Cl)C2=C(C3=C(C=CC=C3)OC2=O)O MCULE-1694383581 [0,0,0,0,0,0|2,0,2]=4 8 B25R3.3579239 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC=C3)OC2=O)[O-] MCULE-2794487450 [1,0,0,0,0,0|0,0,2]=3 9 B25R3.3579239 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC=C3)SC2=O)O MCULE-2056228619 [1,0,0,0,0,0|0,1,2]=4 10 B25R3.3579239 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC=N3)OC2=O)O MCULE-4519084711 [1,0,0,0,0,0|1,0,2]=4 11 B25R3.3579239 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O MCULE-1618253893 [1,0,0,0,0,0|0,0,2]=3 12 B25R3.3579239 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O MCULE-2274749076 [1,0,0,0,0,0|0,0,2]=3 13 B25R3.3579239 CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=C(C2=O)C=CC=C3)O MCULE-3295453336 [1,0,0,0,0,0|0,0,0]=1 14 B25R3.3579239 CC(=O)C[C@@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O MCULE-2729868582 [1,0,0,0,0,0|0,0,2]=3 15 B25R3.3579239 CC(=O)C[C@@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O MCULE-7311592691 [1,0,0,0,0,0|0,0,2]=3 16 B25R3.3579239 CC(=O)C[C@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O MCULE-6870528147 [1,0,0,0,0,0|0,0,2]=3 17 B25R3.3579239 O=C(O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O MCULE-9921028074 [1,0,0,0,0,0|1,0,2]=4 18 B27R3.24435108 COC1=CC=C(C=C1)C(CC(=O)C)C2=C(C3=C(C=CC=C3)OC2=O)O MCULE-2182246059 [0,1,0,0,0,0|0,0,2]=3 19 B27R3.387516207 COC(=O)CC(C1=CC=C(C=C1)Cl)C2=C(N=C3C=CC=CN3C2=O)O MCULE-2231289484 [0,1,0,0,0,0|3,0,0]=4 20 B27R3.387516207 COC(=O)CC(C1=CC=C(C=C1)F)C2=C(N=C3C=CC=CN3C2=O)O MCULE-2687249985 [0,1,0,0,0,0|3,0,0]=4 21 B27R3.387516207 COC(=O)CC(C1=CC=C(C=C1)O)C2=C(C3=CC=CC=C3OC2=O)O MCULE-5063193935 [0,1,0,0,0,0|0,0,2]=3 22 B27R3.387516207 COC(=O)CC(C1=CC=C(C=C1)O)C2=C(N=C3C=CC=CN3C2=O)O MCULE-9407770166 [0,1,0,0,0,0|2,0,0]=3 23 B26R3.33404991 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(OC2=O)C(=CC=C3)O)O MCULE-7344547815 [1,1,0,0,0,0|0,0,2]=4 24 B26R3.34007343 CC(=O)C(O)C(C1=CC=CC=C1)C2=C(C3=C(C=CC=C3)OC2=O)O MCULE-2915829379 [1,1,0,0,0,0|0,0,2]=4 25 B26R3.34289914 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC(=C3)O)OC2=O)O MCULE-7822776549 [1,1,0,0,0,0|0,0,2]=4 26 B26R3.56121876 CCC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC=C3)OC2=O)[O-] MCULE-3028381227 [1,1,0,0,0,0|0,0,2]=4 27 B26R3.56121876 CCC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC=C3)OC2=O)[O-] MCULE-5294408572 [1,1,0,0,0,0|0,0,2]=4 28 B26R3.56121876 COC(=O)CC(C1=CC=CC=C1)C2=C(N=C3C=CC=CN3C2=O)O MCULE-5142425273 [1,1,0,0,0,0|2,0,0]=4 29 B26R3.249452400 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)O MCULE-2855272552 [1,1,0,0,0,0|0,0,2]=4 30 B28R3.33906273 COC(=O)CC(C1=CC=C(C=C1)OC)C2=C(C3=CC=CC=C3OC2=O)O MCULE-4685078278 [0,2,0,0,0,0|0,0,2]=4 31 B28R3.33906273 COC(=O)CC(C1=CC=C(C=C1)OC)C2=C(N=C3C=CC=CN3C2=O)O MCULE-2581101075 [0,2,0,0,0,0|2,0,0]=4 32 B28R3.588583839 COC(=O)CC(C1=CC=C(C=C1)O)C2=C(N=C3C=CC(=CN3C2=O)Br)O MCULE-4295928392 [0,2,0,0,0,0|2,0,0]=4 33 B28R3.588583839 COC(=O)CC(C1=CC=C(C=C1)O)C2=C(N=C3C=CC(=CN3C2=O)Cl)O MCULE-9893753185 [0,2,0,0,0,0|2,0,0]=4 34 B28R3.588748546 COC(=O)CC(C1=CC(=C(C=C1)O)Cl)C2=C(C3=CC=CC=C3OC2=O)O MCULE-3878578998 [0,2,0,0,0,0|0,0,2]=4 35 B28R3.588748546 COC(=O)CC(C1=CC(=C(C=C1)O)Cl)C2=C(N=C3C=CC=CN3C2=O)O MCULE-6109918705 [0,2,0,0,0,0|2,0,0]=4 36 B28R3.1117457773 COC(=O)CC(C1=CC=C(C=C1)O)C2=C(C(=O)C3=C(C2=O)C=CC=C3)O MCULE-3065277770 [0,2,0,0,0,0|1,0,0]=3 37 B26R4.12026581 O=C1CC(C2=C(O1)C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)O MCULE-6190327253 [1,0,0,1,0,0|1,0,1]=4 38 B28R4.52943434 COC(=O)C1OC2=C(C1C3=CC=C(C=C3)O)C(=O)OC4=CC=CC=C24 MCULE-7834799651 [0,1,0,1,0,0|0,0,2]=4