smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1c(O)cccc1Cl)c1ccc(O)c([N+](=O)[O-])c1 ZINC000577683541 318209308 /nfs/dbraw/zinc/20/93/08/318209308.db2.gz VQIAIIPXGOHIFQ-UHFFFAOYSA-N -2 2 308.677 2.912 20 5 DFBDLL