smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C(=NNC(=O)C[N+](C)(C)C)C(C)(C)C1=NNC(=O)C[N+](C)(C)C ZINC000001627777 717088689 /nfs/dbraw/zinc/08/86/89/717088689.db2.gz LCFZAEWVBIELMF-UHFFFAOYSA-P 2 0 368.526 0.409 40 50 FCGBRP