smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC[NH2+]C[C@@H](O)[C@@H](O)C[NH2+]CCC[NH+]=C1CCCc2ccccc2N1 ZINC000064448620 205190441 /nfs/dbraw/zinc/19/04/41/205190441.db2.gz SIRKTTVKEGVKTL-MOPGFXCFSA-N 4 0 377.533 0.473 1 30 GCEFRP