smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N1CCOCC1 ZINC000016361364 568878585 /nfs/dbraw/zinc/87/85/85/568878585.db2.gz WJLJKOZQOFYBCU-HWKANZROSA-N -2 0 432.389 0.800 50 5 ICBARL O=C([O-])CCCn1c(=O)c2ccc3c(=O)n(CCCC(=O)[O-])c(=O)c4ccc(c1=O)c2c34 ZINC000060326083 556685835 /nfs/dbraw/zinc/68/58/35/556685835.db2.gz MUAIYJXUHJRIHI-UHFFFAOYSA-N -2 0 438.392 0.795 50 5 ICBARL