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)c1nnn[n-]1 ZINC001140063823 1430182214 /nfs/dbraw/zinc/18/22/14/1430182214.db2.gz BHTBKCPFWAYEQR-NSHDSACASA-N -1 1 343.522 3.045 10 50 EGGEMM