smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000032947056 521194992 /nfs/dbraw/zinc/19/49/92/521194992.db2.gz KBYVMVWEIDMYOM-UHFFFAOYSA-N 0 2 404.467 0.714 10 0 HCAELN