smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248242879 564053118 /nfs/dbraw/zinc/05/31/18/564053118.db2.gz HVRDPYCAMUBVDR-UHFFFAOYSA-N 1 3 349.522 4.511 20 0 EJADHO