smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc2c(n1)nc([N-]C(=O)Nc1ccc(S(=O)(=O)F)cc1)n1nc(-c3ccco3)nc21 ZINC000043860556 563171131 /nfs/dbraw/zinc/17/11/31/563171131.db2.gz YIWARMDGPGTTIM-UHFFFAOYSA-N -1 3 456.419 2.573 1 70 JFIFHM