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]1CCCN1C(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-] ZINC000004899742 277698053 /nfs/dbraw/zinc/69/80/53/277698053.db2.gz VSFSOCUDQQNIRC-GUBZILKMSA-N -2 3 325.321 -1.628 40 30 EAEBHL