smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2[nH]c(=O)[nH]c2cc1N=Nc1c([O-])[nH]c(=O)[n-]c1=O ZINC000100051466 392492332 /nfs/dbraw/zinc/49/23/32/392492332.db2.gz RITYHZCLJGBCAJ-ISLYRVAYSA-N -2 3 302.250 -0.017 10 10 DBCEHL