smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000013776373 563005877 /nfs/dbraw/zinc/00/58/77/563005877.db2.gz SIXKRNBZGWCFKP-UHFFFAOYSA-N 0 2 430.294 4.826 20 10 IJCDLN