smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C/C(=C/C=C/c1ccccc1)C(=O)[O-] 1596938 956863926 /nfs/dbraw/zinc/86/39/26/956863926.db2.gz UBDXZYYYWGIRGN-KXBBGWRGSA-N -1 0 199.209 2.234 50 50 AEGARM Cc1ccsc1/C=C(/C#N)C(=O)[O-] 16363131 957098213 /nfs/dbraw/zinc/09/82/13/957098213.db2.gz PWDTTYGFHUKQHP-DAXSKMNVSA-N -1 0 193.227 2.048 50 50 AEGARM