smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-] ZINC000033379529 569587501 /nfs/dbraw/zinc/58/75/01/569587501.db2.gz DJXDNYKQOZYOFK-AEJSXWLSSA-N -1 1 447.449 -4.605 10 30 IAEEMM