smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCC3(CCN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)CC3)CC2)cc1 ZINC001164758717 721047256 /nfs/dbraw/zinc/04/72/56/721047256.db2.gz AXEHDOCYCZMNDY-UHFFFAOYSA-N 2 0 436.560 3.263 20 5 IGBDRP