smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3[O-])C2=O)cc1 ZINC000083318109 570629151 /nfs/dbraw/zinc/62/91/51/570629151.db2.gz XXCIQPGJCOBXNN-NTUHNPAUSA-N -2 0 391.210 4.514 40 10 GJCBRL CC(C)=CCc1c(=O)cc2oc3cc([O-])c(O)c(CC=C(C)C)c3c(O)c-2c1[O-] ZINC000005195818 560111127 /nfs/dbraw/zinc/11/11/27/560111127.db2.gz VEZXFTKZUMARDU-UHFFFAOYSA-N -2 0 396.439 4.786 40 10 endogenous,in-man GJCBRL