smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1[N+](=O)[O-] ZINC000170610517 570866939 /nfs/dbraw/zinc/86/69/39/570866939.db2.gz OVRKHRVNGGNNPL-UHFFFAOYSA-N -2 1 392.353 0.673 50 5 GCBAML