smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCC[NH2+]CCCC[NH2+]CCCN)c1ccc([N+](=O)[O-])c2nonc21 ZINC000043066732 205082768 /nfs/dbraw/zinc/08/27/68/205082768.db2.gz IBRBMVWQOOMKOT-UHFFFAOYSA-N 2 3 379.465 1.266 1 5 GDBFHP