smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCCCOC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000217958371 426566170 /nfs/dbraw/zinc/56/61/70/426566170.db2.gz LPRWRFATKJXRFW-UHFFFAOYSA-N 2 1 314.429 2.570 10 70 DFIEMP