smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCN2CNC(SCc3ccc(Cl)cc3)=[NH+]C2)cc1OC ZINC000005351406 569255687 /nfs/dbraw/zinc/25/56/87/569255687.db2.gz JRZNGLZDQHVIOO-UHFFFAOYSA-N 1 2 405.951 4.009 30 0 HIACLO