smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)NCC[NH+]2CCOCC2)c2nc3c(C(=O)NCCN4CCOCC4)c(N)c(=O)c(C)c-3oc12 ZINC000005179279 552494226 /nfs/dbraw/zinc/49/42/26/552494226.db2.gz ISRVDQRNOJRLLN-UHFFFAOYSA-N 1 2 552.632 0.616 40 5 KCBBLO