smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCNc1ccncc1 ZINC000014947253 343135829 /nfs/dbraw/zinc/13/58/29/343135829.db2.gz XMONRBOPIGIIMR-UHFFFAOYSA-N 0 3 234.387 4.634 10 30 BJEEHN