smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(C)c(O)c(Cc2c([O-])c(C=O)c(O)c(C(=O)CC(C)C)c2O)c(O)c1C(=O)C(C)C ZINC000004098456 560195696 /nfs/dbraw/zinc/19/56/96/560195696.db2.gz VQIUVVRPDIFIPV-UHFFFAOYSA-N -3 2 474.506 4.002 10 0 biogenic,in-vitro JIAELL