smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)cc1 ZINC000747841006 1067485395 /nfs/dbraw/zinc/48/53/95/1067485395.db2.gz YFGMNCBZLLWTRY-UHFFFAOYSA-N -1 2 452.535 3.356 20 10 JGCDLM