smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)cc2)CC1 ZINC000216838592 571600317 /nfs/dbraw/zinc/60/03/17/571600317.db2.gz WLCAUXBGJGLMJO-UHFFFAOYSA-N -1 3 577.490 4.199 40 70 KIIBHM