smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(CC(C(=O)NN)C(=O)NN)cc1C[N+](C)(C)CC ZINC000001248263 717087786 /nfs/dbraw/zinc/08/77/86/717087786.db2.gz BNLGEGURSCPSLV-UHFFFAOYSA-O 1 0 352.459 -0.180 50 50 FBGARO