smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(N)c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC000095558579 185379978 /nfs/dbraw/zinc/37/99/78/185379978.db2.gz OTGQTQBPQCRNRG-UHFFFAOYSA-N 0 3 302.380 3.466 30 0 investigational DGACHN