smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=C[N+](=O)c2ccccc2[N+]1=O 5977676 535253364 /nfs/dbraw/zinc/25/33/64/535253364.db2.gz AGQSEIGTBQIVBF-UHFFFAOYSA-N 2 0 176.175 2.382 1 0 AEAFRP