smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc2c(C[NH+](C)C)c(-c3ccc([N+](=O)[O-])cc3)c(CN(C)C)n2c1 ZINC000004580540 558765523 /nfs/dbraw/zinc/76/55/23/558765523.db2.gz YHDOIJHYRRNOOS-UHFFFAOYSA-N 1 3 424.501 3.814 50 5 HHBAHO