smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc(/N=N/c2ccncc2)c1 308696663 573757428 /nfs/dbraw/zinc/75/74/28/573757428.db2.gz FYOBTYIWUNVYMZ-BUHFOSPRSA-N -1 1 199.213 3.203 10 10 AGCEMM