smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCCn1cc[nH+]c1 ZINC000028297017 569409760 /nfs/dbraw/zinc/40/97/60/569409760.db2.gz AZQFZFYYPXPNGH-FOWTUZBSSA-N 1 2 434.974 3.334 10 10 IGCELO