smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(-c2cc[n+]3c4c2ccc2c(-c5ccccc5)cc[n+](c24)CC3)cc1 ZINC000001564231 204012699 /nfs/dbraw/zinc/01/26/99/204012699.db2.gz OZAPLKDXSLVXDE-UHFFFAOYSA-N 2 0 360.460 4.916 40 5 FJBBRP