smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-] ZINC000002560994 372765218 /nfs/dbraw/zinc/76/52/18/372765218.db2.gz HVSFTYKXDFXWDF-CIUDSAMLSA-N -2 3 313.310 -1.724 40 30 DAEBHL