smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027639913 563048040 /nfs/dbraw/zinc/04/80/40/563048040.db2.gz WXAKPJUYGQNCHU-UQRQXUALSA-N 1 3 488.422 6.430 1 5 JKBFHO