smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=c1c(C(=O)NCC[NH+]2CCOCC2)cc2c(=O)n3ccccc3nc2n1CCC[NH+]1CCOCC1 ZINC000015230301 555889240 /nfs/dbraw/zinc/88/92/40/555889240.db2.gz DZQYWYOTOSGWKE-UHFFFAOYSA-N 2 2 495.584 -0.087 50 5 JBBALP