smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)NC(=O)CCCCC(=O)N[N+](C)(C)C ZINC000005360027 717099630 /nfs/dbraw/zinc/09/96/30/717099630.db2.gz XSDKTBHSKXYGMC-UHFFFAOYSA-P 2 0 260.382 0.022 50 50 CCGARP