smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(F)ccc1Cl ZINC000095980895 571333414 /nfs/dbraw/zinc/33/34/14/571333414.db2.gz CJQGBTGJNSBTIQ-UHFFFAOYSA-N -1 2 370.616 4.292 50 10 FICALM