smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCNCCC[NH2+]CCCNCCC[NH2+]CC ZINC000005853013 170147120 /nfs/dbraw/zinc/14/71/20/170147120.db2.gz LIYZJIUOYBOEJD-UHFFFAOYSA-N 2 3 254.422 0.168 1 30 CCEFHP