smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[N+](C)(C)CC[NH+](C)C ZINC000103233696 717146229 /nfs/dbraw/zinc/14/62/29/717146229.db2.gz ZPTJJLFRTGELNG-UHFFFAOYSA-N 2 2 285.540 4.545 1 30 CJEFLP