smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([O-])c1ccc(/N=N/c2ccccc2)c2c([O-])cccc12 ZINC000013403603 563697787 /nfs/dbraw/zinc/69/77/87/563697787.db2.gz BDGXTLNETVWTNN-ISLYRVAYSA-N -2 1 328.349 4.208 40 10 EICBML O=C([O-])c1ccc(N=Nc2c(O)ccc3ccccc32)cc1C(=O)[O-] ZINC000005604948 563542578 /nfs/dbraw/zinc/54/25/78/563542578.db2.gz CIJUMQWQLRCXDZ-FMQUCBEESA-N -2 1 336.303 4.357 40 10 EICBML