smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)(NC(=O)CCCC[C@H]1CCSS1)c1nn[n-]n1 ZINC001140063823 1430182213 /nfs/dbraw/zinc/18/22/13/1430182213.db2.gz BHTBKCPFWAYEQR-NSHDSACASA-N -1 0 343.522 3.045 10 50 EGGERM