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)Cc1nnn[n-]1 90613053 1423845993 /nfs/dbraw/zinc/84/59/93/1423845993.db2.gz TWKUAKLZOIABHJ-UHFFFAOYSA-N -1 1 142.122 -2.268 50 50 in-vitro AAGAMM NNC(=O)c1nn[n-]n1 87440379 1424105722 /nfs/dbraw/zinc/10/57/22/1424105722.db2.gz ZQMQZFYZVHJLQA-UHFFFAOYSA-N -1 1 128.095 -2.197 50 50 AAGAMM