smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c2cc(NC(=O)C3CCN(c4ccc(Cl)nn4)CC3)ccc2n1CCC[NH+](C)C ZINC000218259746 569883126 /nfs/dbraw/zinc/88/31/26/569883126.db2.gz GFPVJYJQWXMNKE-UHFFFAOYSA-N 2 2 455.994 3.595 50 70 JHIALP