smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCCCc2ccc(S(=O)(=O)F)cc2)cc1 ZINC000043307579 563169353 /nfs/dbraw/zinc/16/93/53/563169353.db2.gz VNYWLJDMMFVHSV-UHFFFAOYSA-N 2 0 459.591 3.876 40 70 JHIBRP