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([O-])c1cc(-c2cccc(Cl)c2)nc2cc3ccccc3cc21 ZINC000000099032 201358154 /nfs/dbraw/zinc/35/81/54/201358154.db2.gz XOAWDPYZEMCNDO-UHFFFAOYSA-N -1 0 333.774 5.407 10 5 EKBERM