smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=S)N(C3CC3)C1=O)n(C)c(=O)n(C)c2=O ZINC000017197013 558825558 /nfs/dbraw/zinc/82/55/58/558825558.db2.gz ZXLTUFAYTPQWEV-VURMDHGXSA-N -1 1 418.439 -0.983 50 10 HBCAMM