smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCOCCC[NH2+]CCCN ZINC000103842351 204087115 /nfs/dbraw/zinc/08/71/15/204087115.db2.gz PUKQYCOBAZVBIG-UHFFFAOYSA-N 1 3 342.612 5.423 10 30 EKEEHO