smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c([N-]N=O)nc2ccccc21 13556559 343036135 /nfs/dbraw/zinc/03/61/35/343036135.db2.gz WWQJPGNROBKOJD-UHFFFAOYSA-N -1 1 190.206 2.529 50 10 AFCAMM