smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(S(=O)(=O)[N-]S(=O)(=O)[O-])c1 ZINC000013528786 351336718 /nfs/dbraw/zinc/33/67/18/351336718.db2.gz BTCYXJPTEVVIQE-UHFFFAOYSA-N -2 0 282.255 -0.324 40 5 CBBBRL