smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(OCc2nc(CN[C@@H](Cc3ccccc3[N+](=O)[O-])C(=O)[O-])cs2)cc1 ZINC000426810579 1126092000 /nfs/dbraw/zinc/09/20/00/1126092000.db2.gz IXTCAMIVVGHPEI-SFHVURJKSA-N -1 1 427.482 3.724 20 5 IHBDMM Cc1ccc(OCc2nc(CN[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)[O-])cs2)cc1 ZINC000426773995 1126089637 /nfs/dbraw/zinc/08/96/37/1126089637.db2.gz RYKBQHUPKNSUGA-IBGZPJMESA-N -1 1 427.482 3.724 20 5 IHBDMM