smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000020215721 522178002 /nfs/dbraw/zinc/17/80/02/522178002.db2.gz UZKWQVISUNGDFH-UHFFFAOYSA-N 0 0 434.392 6.052 20 10 IKCDRN