smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)cs1 ZINC000218663314 571355279 /nfs/dbraw/zinc/35/52/79/571355279.db2.gz AVIGSZKBSVQMSG-UHFFFAOYSA-N -1 0 370.908 4.634 50 70 FJIARM