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(=N)NC(=N)N1c1ccc(OCCCNC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000043300595 562647443 /nfs/dbraw/zinc/64/74/43/562647443.db2.gz CGNHCEWPHCGCBK-UHFFFAOYSA-N 0 3 525.994 2.774 40 70 KFIBHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCCCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000043307686 562647552 /nfs/dbraw/zinc/64/75/52/562647552.db2.gz KPICKNXLTRRWQW-UHFFFAOYSA-N 0 3 525.006 2.773 40 70 KFIBHN