smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCN3CC[NH+](C)CC3)c2)CC1 ZINC000216867721 568468772 /nfs/dbraw/zinc/46/87/72/568468772.db2.gz RMLSGSBRQJTIQA-UHFFFAOYSA-N 1 0 423.583 -0.010 40 70 HBIBRO