smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH+]c2ccc(C)c([N+](=O)[O-])c2c1NCCC[NH+](C)C ZINC000001625759 274827664 /nfs/dbraw/zinc/82/76/64/274827664.db2.gz ROVRIHQAUQJTMP-UHFFFAOYSA-N 2 2 302.378 3.123 40 5 DGBBLP