smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCC(=O)N(CC[NH3+])CC[NH3+] ZINC000100051795 209208928 /nfs/dbraw/zinc/20/89/28/209208928.db2.gz GXMVXAAQVWCSRQ-UHFFFAOYSA-N 2 0 369.638 4.994 10 30 FJEERP