smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c([O-])c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S ZINC000409099864 570128003 /nfs/dbraw/zinc/12/80/03/570128003.db2.gz MDSFHNNIHPYQHA-UHFFFAOYSA-N -1 2 477.524 1.720 40 5 JDBBLM