smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)n1c(C(=O)[O-])nc(=O)n1-c1ccccc1 ZINC000036533598 374475717 /nfs/dbraw/zinc/47/57/17/374475717.db2.gz GWAWQFOZHSNDAR-UHFFFAOYSA-N 0 0 319.321 -0.149 30 0 DBACRN