smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc(Cc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O ZINC000039281181 419419481 /nfs/dbraw/zinc/41/94/81/419419481.db2.gz MQJLKGBKWAAIHU-UHFFFAOYSA-N 0 2 262.225 -0.032 40 5 CBBBLN