smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(NCCCNCCC[NH2+]CCCNC(NC)=[NH+]C)=[NH+]C ZINC000034893196 374619132 /nfs/dbraw/zinc/61/91/32/374619132.db2.gz UECHIPVWNJCQJH-UHFFFAOYSA-N 3 1 328.509 -1.075 50 30 in-vivo EAEAMP