smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(O)c(CCNc2nc3c(nc(Cl)nc3N3CCCCC3)c(N3CCCCC3)n2)cc1O ZINC001168009342 1066488700 /nfs/dbraw/zinc/48/87/00/1066488700.db2.gz GUZWPEUPJRPSAE-UHFFFAOYSA-N 0 0 500.003 3.825 20 10 KHCDRN