smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1nc(Cl)c(C=N[O-])c(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)n1 ZINC001164646245 719308969 /nfs/dbraw/zinc/30/89/69/719308969.db2.gz CPHWRXBJEUHVOB-UHFFFAOYSA-N -1 3 423.974 3.062 20 30 HGEDHM