smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNC(=O)c1ccc(NCC[NH2+]CCO)c2cc3ccccc3nc12 ZINC000027546565 204856453 /nfs/dbraw/zinc/85/64/53/204856453.db2.gz HJYJYNUECRAFHK-UHFFFAOYSA-N 1 3 395.507 1.673 1 5 GDBFHO