smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[NH2+]CC[NH2+]CCCCCCCCCCCC ZINC000100694909 520009139 /nfs/dbraw/zinc/00/91/39/520009139.db2.gz ALZARSJEJMWPOM-UHFFFAOYSA-N 2 0 396.748 8.007 10 30 GKEERP