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@@](O)(C=O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC001529054631 1068892692 /nfs/dbraw/zinc/89/26/92/1068892692.db2.gz OBVZFHXNNMIIRJ-CIBWYJFOSA-N -2 1 460.391 -0.272 40 30 JBEBML