smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000216944874 241227200 /nfs/dbraw/zinc/22/72/00/241227200.db2.gz XPWHLYUVYJJARP-UHFFFAOYSA-N 2 0 343.515 3.134 40 70 EGIBRP