smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC/N=C(\c1ccc(Cl)cc1)N1CCN(/C(=[NH+]/CCO)c2ccc(Cl)cc2)CC1 ZINC000008893920 569292073 /nfs/dbraw/zinc/29/20/73/569292073.db2.gz VLFIZGXGWXWYGK-CDTUYSNOSA-N 1 3 449.382 2.789 40 30 IFEBHO