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-])C(CO)(CO)[N+](=O)[N-]c1nonc1N[N+](=O)C(CO)(CO)[N+](=O)[O-] ZINC000225423015 209187142 /nfs/dbraw/zinc/18/71/42/209187142.db2.gz XSLOWBKKHSGJBQ-UHFFFAOYSA-N 1 1 398.245 -3.044 50 10 GACAMO