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)(CC[N-]c1nc(-c2noc([N-]CC[N+](C)(C)CCC(=O)[O-])n2)no1)CCC(=O)[O-] ZINC000008766856 554667278 /nfs/dbraw/zinc/66/72/78/554667278.db2.gz GAEIJZZIXSVPFS-UHFFFAOYSA-P -2 3 456.504 0.046 40 5 JCBBHL