smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC(C)(C)c1c2c(c(=O)c3c([O-])c4ccc([O-])c(O)c4oc1-3)C[C@@H](C(C)(C)O)O2 ZINC000013412052 291246813 /nfs/dbraw/zinc/24/68/13/291246813.db2.gz YWCIWVYWWAGGTH-ZDUSSCGKSA-N -2 1 412.438 3.601 1 30 biogenic,in-vitro HHEFML