smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCn1cc2c(n1)nc([N-]C(=O)Nc1ccc(S(=O)(=O)F)cc1)n1nc(-c3ccco3)nc21 ZINC000043300177 563169194 /nfs/dbraw/zinc/16/91/94/563169194.db2.gz XZCCODAIRFTVIB-UHFFFAOYSA-N -1 3 498.500 3.836 1 70 JHIFHM