smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1 ZINC000084618892 562745188 /nfs/dbraw/zinc/74/51/88/562745188.db2.gz YTEVTHHGQMUPHC-UHFFFAOYSA-N -1 0 549.074 3.996 30 0 KHACRM