smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1Sc1c([O-])ccc2ccccc21 ZINC000000344144 567927048 /nfs/dbraw/zinc/92/70/48/567927048.db2.gz ZKAJKWFOUDSKBM-UHFFFAOYSA-N -1 3 297.335 4.605 50 5 CJBAHM