smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc2c(nc1-n1ccc3c1nc[nH+]c3N1CCC([NH3+])(Cc3ccc(Cl)cc3)CC1)CCOC2 ZINC001159554256 1066861601 /nfs/dbraw/zinc/86/16/01/1066861601.db2.gz GBDPRBSHXLDASI-UHFFFAOYSA-N 2 1 500.006 3.954 20 30 KHEDMP