smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(=O)NCc3nnc4n3CCCCC4)c([N+](=O)[O-])c2)c(C)c1 ZINC000514394698 1059512828 /nfs/dbraw/zinc/51/28/28/1059512828.db2.gz ZDPLLLWGJJSYHT-UHFFFAOYSA-N -1 3 527.607 3.059 20 5 KGBDHM