smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=[NH2+])c1ccc(NC(=N)c2ccc(NC(=O)c3ccc(C(=[NH2+])NC)cc3)cc2)cc1 ZINC000008616457 556192690 /nfs/dbraw/zinc/19/26/90/556192690.db2.gz FKLZABYLJMAIGE-UHFFFAOYSA-N 2 3 427.512 3.466 40 0 IGABHP