smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(C(=O)[O-])cc1NCc1c([O-])ccc(Cl)c1F ZINC000789902376 1050895616 /nfs/dbraw/zinc/89/56/16/1050895616.db2.gz NHBCRWFJNSMCQM-UHFFFAOYSA-N -2 1 323.751 4.112 20 10 DICDML