smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1c2ccccc2[nH]c(=O)c1-c1nc2cc(OCC[NH+]3CCOCC3)ccc2[nH]1 ZINC000040424395 581100661 /nfs/dbraw/zinc/10/06/61/581100661.db2.gz MVKVCQNFFRDQDJ-UHFFFAOYSA-N -1 2 405.458 2.365 1 0 HEAFLM