smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=[NH+]/CCCC/[NH+]=C/c2ccc(OC)c(OC)c2)cc1OC ZINC000018063237 523437661 /nfs/dbraw/zinc/43/76/61/523437661.db2.gz CHCYTHMZDWZWQV-DFEHQXHXSA-N 2 2 384.476 4.039 10 30 GIEELP