smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc([N+](=O)[O-])cc(OC)c3O)C(=O)[O-])n2)c1 ZINC000408632282 569983565 /nfs/dbraw/zinc/98/35/65/569983565.db2.gz IKJLVDARTRKDPR-FRKPEAEDSA-N -1 2 474.451 3.329 40 5 JGBBLM