smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NN1C(=O)NC(=O)C1=O 218675638 169232980 /nfs/dbraw/zinc/23/29/80/169232980.db2.gz LTXSDFWWLIBLJQ-UHFFFAOYSA-N 0 2 129.075 -2.062 50 70 AAIALN