smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC1=C([O-])C(=NNC(=O)C[N+](C)(C)C)c2ccccc2C1=O ZINC000018251937 717113223 /nfs/dbraw/zinc/11/32/23/717113223.db2.gz YHDANDSERURQDS-UHFFFAOYSA-O 0 0 344.435 2.412 40 50 EEGBRN