smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-] ZINC000100051317 436546246 /nfs/dbraw/zinc/54/62/46/436546246.db2.gz AYVURSOEGHIHDH-UHFFFAOYSA-N -2 3 346.424 0.951 10 30 ECEEHL