smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CI)cc1 ZINC000027878675 717114942 /nfs/dbraw/zinc/11/49/42/717114942.db2.gz SJGRYRHUKSBWBA-UHFFFAOYSA-O 0 0 440.283 1.412 1 50 IDGFRN