smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc(NS(=O)(=O)c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)n1 ZINC000004194759 555975059 /nfs/dbraw/zinc/97/50/59/555975059.db2.gz DFPJEJKMDZFZHC-GHVJWSGMSA-N -1 1 427.442 3.713 10 10 in-man IHCEMM