smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=S)N1CCN(CCNC=C2C(=O)[N-]C(=S)NC2=O)CC1 ZINC000096791721 222130904 /nfs/dbraw/zinc/13/09/04/222130904.db2.gz RPPSTYJXXIRIDK-UHFFFAOYSA-N -1 3 356.477 -1.887 50 10 FACAHM