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+](CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000059482376 563209065 /nfs/dbraw/zinc/20/90/65/563209065.db2.gz YAZLSWIKYYLNNP-UHFFFAOYSA-N 1 0 495.448 2.107 10 5 JEBERO OCCOCC[N+]1(CCOCCO)CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC000077273503 569705347 /nfs/dbraw/zinc/70/53/47/569705347.db2.gz ROEAJAZFQZLPHN-UHFFFAOYSA-N 1 0 472.631 2.380 10 5 in-vitro JEBERO