smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1O ZINC000790406926 641413286 /nfs/dbraw/zinc/41/32/86/641413286.db2.gz JMZQTUMXINXYJT-UHFFFAOYSA-N -2 2 392.436 0.861 20 10 GCCDLL