smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=Cn2c(=O)cc([O-])[nH]c2=S)C(=O)N1 ZINC000005566550 372774776 /nfs/dbraw/zinc/77/47/76/372774776.db2.gz GAGFZQWYRLNLIT-UHFFFAOYSA-N -2 0 282.237 -1.719 40 10 CACBRL