smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1c(S(=O)(=O)[O-])cc([N-]S(=O)(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000033605539 527436198 /nfs/dbraw/zinc/43/61/98/527436198.db2.gz BPOXGXKCELHYOY-UHFFFAOYSA-N -2 1 458.473 2.092 10 10 JECEML