smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c2cccc1sc1cccc(sc3cccc(sc4cccc(s2)c4O)c3O)c1O ZINC000029501446 556352661 /nfs/dbraw/zinc/35/26/61/556352661.db2.gz DURXNMJYAJESOY-UHFFFAOYSA-N -1 2 496.656 8.179 10 5 JKBELM