smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(CP(C1CCCCC1)C1CCCCC1)[NH2+]CC[PH+](C1CCCCC1)C1CCCCC1 ZINC000086012833 569716819 /nfs/dbraw/zinc/71/68/19/569716819.db2.gz OQJIHPKBLHGKJN-UHFFFAOYSA-N 2 3 465.687 8.871 50 0 JKAAHP