smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCc1cc(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O ZINC000005453871 201057620 /nfs/dbraw/zinc/05/76/20/201057620.db2.gz HQIGXKMUTUJEER-UHFFFAOYSA-N -2 2 326.348 3.167 10 10 in-vitro EGCELL CCCCCc1cc(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O ZINC000005551464 560202324 /nfs/dbraw/zinc/20/23/24/560202324.db2.gz BAAGPGLSSCBBBB-UHFFFAOYSA-N -2 2 326.348 3.312 10 10 in-vitro EGCELL