smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000034683552 570301418 /nfs/dbraw/zinc/30/14/18/570301418.db2.gz WGGUPIWJMJYCRO-UHFFFAOYSA-N 0 1 390.886 4.592 10 10 GJCEMN COc1cccc(-c2ccc([O-])c(C[NH2+]Cc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000299761955 209083864 /nfs/dbraw/zinc/08/38/64/209083864.db2.gz CJDJTVLSLNNVNO-UHFFFAOYSA-N 0 1 388.389 4.771 10 10 GJCEMN O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000040939035 208374931 /nfs/dbraw/zinc/37/49/31/208374931.db2.gz WVSYFTVECNBQKD-UHFFFAOYSA-N 0 1 387.071 4.807 10 10 GJCEMN