smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NNC(=O)Nc1nnn[n-]1 33917686 1424279829 /nfs/dbraw/zinc/27/98/29/1424279829.db2.gz IYYJSKQSRDRFMO-UHFFFAOYSA-N -1 0 143.110 -1.805 40 50 AAGBRM