smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC[NH2+]C1CC[NH2+]CC1 ZINC000042804424 641558670 /nfs/dbraw/zinc/55/86/70/641558670.db2.gz UTCANIUURVCBGW-UHFFFAOYSA-N 2 0 226.408 3.079 1 30 BGEFRP