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(OCCCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000043300483 562647468 /nfs/dbraw/zinc/64/74/68/562647468.db2.gz ZTWMXVZMCIAAEV-UHFFFAOYSA-N 2 2 525.006 3.372 1 70 KGIFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000043307526 562647495 /nfs/dbraw/zinc/64/74/95/562647495.db2.gz CDCUOPFCWWGSAA-UHFFFAOYSA-N 2 2 513.020 3.305 1 70 KGIFLP