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+]ccn1-c1ccc(CNC(=O)c2occc2-c2ccc(F)cc2)cc1F ZINC000161156949 222531806 /nfs/dbraw/zinc/53/18/06/222531806.db2.gz YHYGIFQHSBLPMA-UHFFFAOYSA-N 1 1 393.393 4.649 50 70 GJIAMO