smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)CN(CCCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nsc2nccn21 ZINC000013641279 562980115 /nfs/dbraw/zinc/98/01/15/562980115.db2.gz PPZNRHXFQCQZMR-UHFFFAOYSA-N -1 3 481.560 1.530 10 5 JDBEHM